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 +======Aspirin======
  
 +=====Names and Identifiers=====
 +====Computed Descriptors====
 +** IUPAC Name:** 2-acetyloxybenzoic acid \\
 +** InChI:** InChI=1S/​C9H8O4/​c1-6(10)13-8-5-3-2-4-7(8)9(11)12/​h2-5H,​1H3,​(H,​11,​12) \\
 +** InChI Key:** BSYNRYMUTXBXSQ-UHFFFAOYSA-N \\
 +** Canonical SMILES:** CC(=O)OC1=CC=CC=C1C(=O)O \\
 +====Molecular Formula====
 +C<​sub>​9</​sub>​H<​sub>​8</​sub>​O<​sub>​4</​sub>,​ CH<​sub>​3</​sub>​COOC<​sub>​6</​sub>​H<​sub>​4</​sub>​COOH,​ HC<​sub>​9</​sub>​H<​sub>​7</​sub>​O<​sub>​4</​sub>​
 +====Experimental Properties====
 +PHYSICAL DESCRIPTION:​ Odorless white crystals or crystalline powder with a slightly bitter taste. (NTP, 1992)
 +Acetylsalicylic acid is a member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a platelet aggregation inhibitor, an antipyretic,​ a cyclooxygenase 2 inhibitor, a cyclooxygenase 1 inhibitor, a prostaglandin antagonist, a teratogenic agent, an anticoagulant,​ a plant activator, an EC 1.1.1.188 (prostaglandin-F synthase) inhibitor and a drug allergen. It is a member of benzoic acids, a member of salicylates and a member of phenyl acetates. It derives from a salicylic acid. It is a conjugate acid of an acetylsalicylate.
 +The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Acetylsalicylic acid also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia,​ 30th ed, p5)
 +Aspirin is a Nonsteroidal Anti-inflammatory Drug and Platelet Aggregation Inhibitor. The mechanism of action of aspirin is as a Cyclooxygenase Inhibitor. The physiologic effect of aspirin is by means of Decreased Prostaglandin Production and Decreased Platelet Aggregation. The chemical classification of aspirin is Nonsteroidal Anti-inflammatory Compounds.
 +Aspirin is a Nonsteroidal Anti-inflammatory Drug. The mechanism of action of aspirin is as a Cyclooxygenase Inhibitor. The physiologic effect of aspirin is by means of Decreased Prostaglandin Production. The chemical classification of aspirin is Nonsteroidal Anti-inflammatory Compounds.
 +Aspirin is only found in individuals who have consumed this drug. Aspirin or acetylsalicylic acid (acetosal) is a drug in the family of salicylates,​ often used as an analgesic (against minor pains and aches), antipyretic (against fever), and anti-inflammatory. It has also an anticoagulant effect and is used in long-term low-doses to prevent heart attacks and cancer. It was isolated from meadowsweet (Filipendula ulmaria, formerly classified as Spiraea ulmaria) by German researchers in 1839. While their extract was somewhat effective, it also caused digestive problems such as irritated stomach and diarrhoea, and even death when consumed in high doses. In 1853, a French chemist named Charles Frederic Gerhardt neutralized salicylic acid by buffering it with sodium (sodium salicylate) and acetyl chloride, creating acetosalicylic anhydride. Gerhardt'​s product worked, but he had no desire to market it and abandoned his discovery. In 1897, researcher Arthur Eichengrun and Felix Hoffmann, a research assistant at Friedrich Bayer & Co. in Germany, derivatized one of the hydroxyl functional groups in salicylic acid with an acetyl group (forming the acetyl ester), which greatly reduced the negative effects. This was the first synthetic drug, not a copy of something that existed in nature, and the start of the pharmaceuticals industry. The name '​aspirin'​ is composed of a- (from the acetyl group) -spir- (from the plant genus Spiraea) and -in (a common ending for drugs at the time). It has also been stated that the name originated by another means. As referring to AcetylSalicylic and '​pir'​ in reference to one of the scientists who was able to isolate it in crystalline form, Raffaele Piria. Finally '​in'​ due to the same reasons as stated above. Salicylic acid (which is a naturally occurring substance found in many plants) can be acetylated using acetic anhydride, yielding aspirin and acetic acid as a byproduct. It is a common experiment performed in organic chemistry labs, and generally tends to produce low yields due to the relative difficulty of its extraction from an aqueous state. The trick to getting the reaction to work is to acidify with phosphoric acid and heat the reagents under reflux with a boiling water bath for between 40 minutes and an hour. Aspirin acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia,​ 30th ed, p5).
 +Aspirin is an orally administered non-steroidal antiinflammatory agent. Acetylsalicylic acid binds to and acetylates serine residues in cyclooxygenases,​ resulting in decreased synthesis of prostaglandin,​ platelet aggregation,​ and inflammation. This agent exhibits analgesic, antipyretic,​ and anticoagulant properties.
 +The prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia,​ 30th ed, p5)
 +====Other Identifiers====
 +** CAS:** 50-78-2 \\
 +** EC Number:** 200-064-1 \\
 +** ICSC Number:** 0822 \\
 +** RTECS Number:** VO0700000 \\
 +** UNII:** R16CO5Y76E \\
 +====Synonyms====
 +===MeSH Entry Terms===
 +2-(Acetyloxy)benzoic Acid, Acetylsalicylic Acid, Acetysal, Acid, Acetylsalicylic,​ Acylpyrin, Aloxiprimum,​ Aspirin, Colfarit, Dispril, Easprin, Ecotrin, Endosprin, Magnecyl, Micristin, Polopirin, Polopiryna, Solprin, Solupsan, Zorprin
 +===Depositor-Supplied Synonyms===
 +aspirin, ACETYLSALICYLIC ACID, 50-78-2, 2-Acetoxybenzoic acid, 2-(Acetyloxy)benzoic acid, o-Acetoxybenzoic acid, Acylpyrin, Polopiryna, Easprin, Ecotrin, Acetylsalicylate,​ O-Acetylsalicylic acid, Acenterine, Acetophen, Acetosal, Colfarit, Salicylic acid acetate, o-Carboxyphenyl acetate, Enterosarein,​ Aceticyl, Acetonyl, Acetosalin, Acetylin, Aspergum, Aspirdrops, Benaspir, Micristin, Pharmacin, Premaspin, Salcetogen, Temperal, Ecolen, Empirin, Endydol, Rhodine, Saletin, Rheumintabletten,​ Solprin acid, Acidum acetylsalicylicum,​ Acetisal, Acetylsal, Aspirine, Bialpirina, Bialpirinia,​ Bufferin, Claradin, Clariprin, Entericin, Enterophen, Enterosarine,​ Globentyl, Measurin, Neuronika, Salacetin, Solpyron, Acesal, Acisal, Asagran, Asteric, Cemirit, Decaten, Duramax, Extren, Globoid, Helicon, Idragin, Levius, Pirseal, Rhonal, Solfrin, Adiro, Aspec, Aspro, Novid, Yasta, Acetosalic acid, Triple-sal, Spira-Dine, ZORprin, Bi-prin, Acido acetilsalicilico,​ Acide acetylsalicylique,​ Acetilum acidulatum, Acimetten, Delgesic, Entrophen, Persistin, 2-Carboxyphenyl acetate, Dolean pH 8, A.S.A. empirin, XAXA, Contrheuma retard, Acetylsalicylsaure,​ Benzoic acid, 2-(acetyloxy)-,​ 2-acetyloxybenzoic acid, Endosprin, Kapsazal, Solprin, Bayer, Supac, 8-hour Bayer, ASA, Triaminicin,​ Acetysal, Asatard, Istopirin, Magnecyl, Medisyl, Polopirin, Tasprin, Ronal, Bayer Buffered, Aspro Clear, Bayer Plus, Nu-seals aspirin, Rheumin tabletten, Salicylic acid, acetate, Acido O-acetil-benzoico,​ Kyselina acetylsalicylova,​ 2-Acetoxybenzenecarboxylic acid, St. Joseph Aspirin for Adults, A.S.A., St. Joseph, Aspirina 03, Kyselina 2-acetoxybenzoova,​ Acetylsalycilic acid, acetyl salicylic acid, aspirin (acetylsalicylic acid), SP 189, Bayer Aspirin 8 Hour, Acetard, Aspalon, AC 5230, Bayer Children'​s Aspirin, Nu-seals, Acetylsalicylsaeure,​ Acetylsalicylsaure [German], Azetylsalizylsaeure,​ S-211, Acetysalicylic acid, UNII-R16CO5Y76E,​ acide 2-(acetyloxy)benzoique,​ Ascoden-30, Benzoicacid,​ 2-(acetyloxy)-,​ Solupsan, Empirin with Codeine, CCRIS 3243, HSDB 652, ECM, Acide acetylsalicylique [French], Acido acetilsalicilico [Italian], CHEBI:​15365,​ 2-(acetyloxy)benzoate,​ Kyselina acetylsalicylova [Czech], Acido O-acetil-benzoico [Italian], Kyselina 2-acetoxybenzoova [Czech], Bayer Extra Strength Aspirin for Migraine Pain, EINECS 200-064-1, NSC 27223, o-(Acetyloxy)benzoic acid, Acetylsalicylic acid, 99%, Bayer Enteric 325 mg Regular Strength, BRN 0779271, Bayer Enteric 81 mg Adult Low Strength, Bayer Enteric 500 mg Arthritis Strength, AI3-02956, BSYNRYMUTXBXSQ-UHFFFAOYSA-N,​ component of Midol, NSC27223, component of Synirin, MFCD00002430,​ component of Zactirin, component of Coricidin, component of Persistin, component of Robaxisal, o-Acetoxybenzoate,​ NCGC00015067-04,​ DSSTox_CID_108,​ component of Ascodeen-30,​ WLN: QVR BOV1, DSSTox_RID_75372,​ Acetylsalicylsaure (GERMAN), DSSTox_GSID_20108,​ component of Darvon with A.S.A, Acide acetylsalicylique (FRENCH), Aloxiprimum,​ Asaphen, Durlaza, AspirinTest2,​ component of St. Joseph Cold Tablets, Aspir-Mox, Durlaza ER, AcetylsalicylicAcid,​ CAS-50-78-2,​ 11126-35-5, 98201-60-6, SMR000059138,​ Acetylsalicyclic acid, Aspirin [BAN:JAN], SR-01000075668,​ Aspirin [USP:​BAN:​JAN],​ Bay E4465, Aspropharm, Cardioaspirin,​ Cardioaspirina,​ Acetyonyl, Asacard, Ascolong, Colsprin, Miniasal, Pravigard, Salospir, Acesan, Toldex, Azetylsalizylsaure,​ 1oxr, 2-Acetoxybenzoate,​ Aspirin,​(S),​ Aspalon (JAN), Easprin (TN), acetyl-salicylic acid, Aspirin USP-26, acetyl salicyclic acid, o-(Acetyloxy)benzoate,​ Percodan (Salt/Mix), Ascriptin (Salt/Mix), Micrainin (Salt/Mix), O-accetylsalicylic acid, 2-acetoxy benzoic acid, PubChem20190,​ Spectrum_001245,​ 2-Acetylsalicyclic acid, ACMC-209kpz,​ Salicylic acid, acetyl-, CHEMBL25, Spectrum2_001899,​ Spectrum3_001295,​ Spectrum4_000099,​ Spectrum5_000740,​ Aspirin (JP17/USP), Lopac-A-5376,​ Salycylacetylsalicylic acid, D0GY5Z, D0XB8R, Epitope ID:114151, Percodan Demi (Salt/Mix), Soma Compound (Salt/Mix), ZINC53, EC 200-064-1, AC1L1D8U, AC1Q1LA0, Aspirin USP (3080), cid_2244, Pravigard PAC (Salt/Mix), SCHEMBL1353,​ 2-(Acetyloxy)-benzoic acid, Aspirin USP (2080B), Bay-e-4465, Lopac0_000038,​ KBioGR_000398,​ KBioGR_002271,​ KBioSS_001725,​ KBioSS_002272,​ 2-(AcetYl-Oxy)Benzoic Acid, 4-10-00-00138 (Beilstein Handbook Reference), KSC269M6D, MLS001055329,​ MLS001066332,​ MLS001336045,​ MLS001336046,​ BIDD:​GT0118,​ DivK1c_000555,​ SPECTRUM1500130,​ SPBio_001838,​ Acetylsalicylic acid, >=99%, GTPL4139, (non-d)Acetylsalicylic Acid-d3, O-Acetylsalicylic acid; Aspirin, DTXSID5020108,​ BDBM22360, CTK1G9661, HMS501L17, KBio1_000555,​ KBio2_001725,​ KBio2_002271,​ KBio2_004293,​ KBio2_004839,​ KBio2_006861,​ KBio2_007407,​ KBio3_002149,​ KBio3_002751,​ KS-00000ULP,​ Empirin with Codeine (Salt/Mix), Acetylsalicylic acid, >=99.0%, cMAP_000006,​ component of Zactirin (Salt/Mix), MolPort-000-871-622,​ NINDS_000555,​ HMS1920E13, HMS2090G03, HMS2091K13, HMS2233L18, HMS3260G17, HMS3372N15, HMS3656N14, HMS3715P19, Pharmakon1600-01500130,​ BCP21790, ACETYLSALICYLIC ACID, ASPIRIN, Tox21_110076,​ Tox21_202117,​ Tox21_300146,​ Tox21_500038,​ ANW-31125, BBL005469, CCG-39490, LS-143, NSC-27223, NSC406186, NSC755899, s3017, SBB015069, STL137674, AKOS000118884,​ component of Ascodeen-30 (Salt/Mix), Tox21_110076_1,​ CS-2001, DB00945, LP00038, MCULE-3199019536,​ NSC-406186, NSC-755899, PL-2200, RTX-012224, BAY-1019036,​ IDI1_000555,​ Acetylsalicylic acid, analytical standard, NCGC00015067-01,​ NCGC00015067-02,​ NCGC00015067-03,​ NCGC00015067-05,​ NCGC00015067-06,​ NCGC00015067-07,​ NCGC00015067-08,​ NCGC00015067-09,​ NCGC00015067-10,​ NCGC00015067-11,​ NCGC00015067-12,​ NCGC00015067-13,​ NCGC00015067-14,​ NCGC00090977-01,​ NCGC00090977-02,​ NCGC00090977-03,​ NCGC00090977-04,​ NCGC00090977-05,​ NCGC00090977-06,​ NCGC00090977-07,​ NCGC00254034-01,​ NCGC00259666-01,​ NCGC00260723-01,​ AJ-07843, AN-24382, Aspirin, meets USP testing specifications,​ BC221833, H740, HY-14654, KB-47125, NCI60_002222,​ SC-18564, SC-61857, ST075414, SBI-0050027.P004,​ AB1003266, UNM-0000306102,​ component of Darvon with A.S.A (Salt/Mix), EU-0100038, FT-0655181, 1777-EP2269989A1,​ 1777-EP2269990A1,​ 1777-EP2272825A2,​ 1777-EP2275420A1,​ 1777-EP2277865A1,​ 1777-EP2280008A2,​ 1777-EP2281563A1,​ 1777-EP2281815A1,​ 1777-EP2281818A1,​ 1777-EP2292227A2,​ 1777-EP2295055A2,​ 1777-EP2298764A1,​ 1777-EP2298765A1,​ 1777-EP2298768A1,​ 1777-EP2298776A1,​ 1777-EP2305219A1,​ 1777-EP2305260A1,​ 1777-EP2305640A2,​ 1777-EP2305652A2,​ 1777-EP2308510A1,​ 1777-EP2311453A1,​ 1777-EP2314590A1,​ 1777-EP2314593A1,​ 1777-EP2316459A1,​ 1777-EP2371811A2,​ 6474-EP1441224A2,​ 6474-EP2272832A1,​ 6474-EP2275420A1,​ 6474-EP2277861A1,​ 6474-EP2277875A2,​ 6474-EP2298757A2,​ 6474-EP2298764A1,​ 6474-EP2298765A1,​ 6474-EP2314585A1,​ A 5376, Acetylsalicylic Acid 1.0 mg/ml in Acetonitrile,​ C01405, D00109, 24189-EP2295409A1,​ 24189-EP2314590A1,​ AB00051918-08,​ AB00051918_09,​ AB00051918_10,​ 170197-EP2275413A1,​ 170197-EP2287156A1,​ 186947-EP2270113A1,​ 186947-EP2272935A1,​ Arthritis Pain Formula Maximum Strength (Salt/Mix), I14-7505, SR-01000075668-1,​ SR-01000075668-4,​ SR-01000075668-6,​ Acetylsalicylic acid, Vetec(TM) reagent grade, >=99%, Aspirin, British Pharmacopoeia (BP) Reference Standard, F2191-0068, Z234893989, 2-Acetoxybenzoic acid; O-Acetylsalicylic acid; ASA; Aspirin, Aspirin, United States Pharmacopeia (USP) Reference Standard, D41527A7-A9EB-472D-A7FC-312821130549,​ Acetylsalicylic acid, European Pharmacopoeia (EP) Reference Standard, Acetylsalicylic acid, BioReagent, plant cell culture tested, >=99.0%, Acetylsalicylic acid for peak identification,​ European Pharmacopoeia (EP) Reference Standard, InChI=1/​C9H8O4/​c1-6(10)13-8-5-3-2-4-7(8)9(11)12/​h2-5H,​1H3,​(H,​11,​12,​ 11126-37-7, 2349-94-2, 26914-13-6, Aspirin (Acetyl Salicylic Acid), Pharmaceutical Secondary Standard; Certified Reference Material
 +===Removed Synonyms===
 +Acetol, Caprin, Coricidin, Vanquish, Crystar, Acetal, Ascriptin, Equagesic, Fiorinal, Micrainin, Norgesic, Percodan, Robaxisal, Synalgos, Dispril, Phensal, Anacin, Axotal, Dasin, Synalgos-dc,​ Percodan Demi, Soma Compound, Coricidin D, Orphengesic,​ Aggrenox, Invagesic, Lanorinal, Pravigard PAC, Calurin, aspirin lysine, Aspirin calcium, Darvon compound, Aspirin sodium, Norgesic forte, Invagesic Forte, Acetol (VAN), Mepro-Aspirin,​ Acetylsalisylsyre,​ Mixture Name, Aspirin anhydride, Aspirin potassium, Orphengesic Forte, SK-65 Compound, Q-Gesic, carbosalate calcium, Calcium carbasalate,​ O-acetylsalicylsyre,​ Compound 65, acetylsalisylic acid, component of Phensal, Dasin (Salt/Mix), Darvon compound-65,​ Anacin (Salt/Mix), Anacin Maximum Strength, Axotal (Salt/Mix), AZDONE, CODOXY, ROXIPRIN, VICOPRIN, component of Percodan, Acid, Acetylsalicylic,​ Phensal (Salt/Mix), BUTAL COMPOUND, component of Percobarb, Fiorinal (Salt/Mix), Norgesic (Salt/Mix), PERCODAN-DEMI,​ Synalgos (Salt/Mix), TALWIN COMPOUND, Vanquish (Salt/Mix), Equagesic (Salt/Mix), P-A-C Analgesic Tablets, Propoxyphene Compound 65, Robaxisal (Salt/Mix), o-acetyl-salicylic acid, component of Ansemco 2, ASPIRIN MAGNESIUM, 2-Acetoxy-Benzoic Acid, DARVON W/ ASA, DARVON-N W/ ASA, BUTALBITAL COMPOUND, C9H8O4, CARBASPIRIN CALCIUM, Propoxyphene Compound-65,​ Synalgos-DC (Salt/Mix), A.S.A. and Codeine Compound, EXCEDRIN (MIGRAINE), CARISOPRODOL COMPOUND, OXYCODONE AND ASPIRIN, MEPROBAMATE AND ASPIRIN, acetylsalicylic acid (aspirin), CARISOPRODOL AND ASPIRIN, component of A.S.A. Compound, SK-65 Compound (Salt/Mix), component of Midol (Salt/Mix), DEA No. 9804, METHOCARBAMOL AND ASPIRIN, FIORINAL W/CODEINE NO 3, SOMA COMPOUND W/ CODEINE, CID2244, Calcium acetylsalicylic carbamidate,​ Arthritis Pain Formula Maximum Strength, C9-H8-O4, Anacin Maximum Strength (Salt/Mix), component of Ansemco 2 (Salt/Mix), NA2811, UN2811, P-A-C Analgesic Tablets (Salt/Mix), BUTALBITAL ASPIRIN AND CAFFEINE, BUTALBITAL, ASPIRIN & CAFFEINE, CS-T-01103, BUTALBITAL, ASPIRIN AND CAFFEINE, BUTALBITAL W/ ASPIRIN & CAFFEINE, ASPIRIN AND CAFFEINE W/ BUTALBITAL, Calcium acetylsalicylate complex with urea, A.S.A. and Codeine Compound (Salt/Mix), ACETAMINOPHEN,​ ASPIRIN AND CAFFEINE, component of A.S.A. and Codeine Compound, Sine-Off Sinus Medicine Tablets-Aspirin Formula, A2262, A4013, OXYCODONE AND ASPIRIN (HALF-STRENGTH),​ CODEINE, ASPIRIN, APAP FORMULA NO. 2, CODEINE, ASPIRIN, APAP FORMULA NO. 3, CODEINE, ASPIRIN, APAP FORMULA NO. 4, PROPOXYPHENE HCL W/ ASPIRIN AND CAFFEINE, C002942, CARISOPRODOL,​ ASPIRIN AND CODEINE PHOSPHATE, D001241, ORPHENADRINE CITRATE, ASPIRIN, AND CAFFEINE, ACETAMINOPHEN,​ ASPIRIN, AND CODEINE PHOSPHATE, METHANONE,​(2-CHLORO-3-PYRIDINYL)CYCLOBUTYL-,​ BUTALBITAL, ASPIRIN, CAFFEINE, AND CODEINE PHOSPHATE, 156865-15-5,​ 52080-78-1, 99512-66-0, Aspirin (NOTE: It is especially important not to use aspirin during the last three months of pregnancy, unless specifically directed to do so by a physician because it may cause problems in the unborn child or complications during delivery.)
 +=====Chemical and Physical Properties=====
 +====Computed Properties====
 +^Property Name^Property Value^
 +|Molecular Weight|180.159 g/mol|
 +|Hydrogen Bond Donor Count|1|
 +|Hydrogen Bond Acceptor Count|4|
 +|Rotatable Bond Count|3|
 +|Complexity|212|
 +|Topological Polar Surface Area|63.6 A%%^%%2|
 +|Monoisotopic Mass|180.042 g/mol|
 +|Exact Mass|180.042 g/mol|
 +|XLogP3|1.2|
 +|Compound Is Canonicalized|true|
 +|Formal Charge|0|
 +|Heavy Atom Count|13|
 +|Defined Atom Stereocenter Count|0|
 +|Undefined Atom Stereocenter Count|0|
 +|Defined Bond Stereocenter Count|0|
 +|Undefined Bond Stereocenter Count|0|
 +|Isotope Atom Count|0|
 +|Covalently-Bonded Unit Count|1|
 +====Experimental Properties====
 +===Physical Description===
 +PHYSICAL DESCRIPTION:​ Odorless white crystals or crystalline powder with a slightly bitter taste. (NTP, 1992)\\
 +Withheld\\
 +Solid\\
 +COLOURLESS-TO-WHITE CRYSTALS OR WHITE CRYSTALLINE POWDER WITH CHARACTERISTIC ODOUR.\\
 +Odorless, colorless to white, crystal-line powder.\\
 +Odorless, colorless to white, crystal-line powder. [aspirin] [Note: Develops the vinegar-like odor of acetic acid on contact with moisture.]\\
 +===Color===
 +Monoclinic tablets or needle-like crystals\\
 +(//​O'​Neil,​ M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ:  Merck and Co., Inc., 2006., p. 140//)\\
 +Colorless to white, crystalline powder.\\
 +(//NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)//)\\
 +===Odor===
 +Odorless, but in moist air it is gradually hydrolyzed and acquires odor of acetic acid\\
 +(//​O'​Neil,​ M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ:  Merck and Co., Inc., 2006., p. 140//)\\
 +Odorless [Note: Develops the vinegar-like odor of acetic acid on contact with moisture].\\
 +(//NIOSH. NIOSH Pocket Guide to Chemical Hazards & Other Databases CD-ROM. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2005-151 (2005)//)\\
 +===Boiling Point===
 +284° F at 760 mm Hg (decomposes) (NTP, 1992)\\
 +140 °C\\
 +284°F (decomposes)\\
 +===Melting Point===
 +275° F (NTP, 1992)\\
 +135 °C\\
 +(//​PhysProp//​)\\
 +135 deg C (rapid heating)\\
 +(//​O'​Neil,​ M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ:  Merck and Co., Inc., 2006., p. 140//)\\
 +135°C\\
 +275°F\\
 +===Flash Point===
 +482° F (NTP, 1992)\\
 +===Solubility===
 +less than 1 mg/mL at 73° F (NTP, 1992)\\
 +4600 mg/L (at 25 °C)\\
 +(//​YALKOWSKY,​SH & DANNENFELSER,​RM (1992)//)\\
 +1 g sol in: 300 mL water at 25 deg C, 100 mL water at 37 deg C, 5 mL alcohol, 17 mL chloroform, 10-15 mL ether; less sol in anhydrous ether\\
 +(//​O'​Neil,​ M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ:  Merck and Co., Inc., 2006., p. 140//)\\
 +In water, 4,600 mg/L at 25 deg C\\
 +(//​Yalkowsky SH, Dannenfelser RM; Aquasol Database of Aqueous Solubility. Version 5. College of Pharmacy, University of Arizona - Tucson, AZ (1992)//)\\
 +Solubility in water, g/100ml at 15°C: 0.25 (poor)\\
 +(77°F): 0.3%\\
 +===Density===
 +1.4 (NTP, 1992)\\
 +1.40\\
 +(//​O'​Neil,​ M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ:  Merck and Co., Inc., 2006., p. 140//)\\
 +1.4 g/cm³\\
 +1.35\\
 +===Vapor Pressure===
 +0 mm Hg (approx) (NIOSH, 2016)\\
 +2.52X10-5 mm Hg at 25 deg C (calc)\\
 +(//​Eisenreich SJ et al; Environ Sci Technol 15: 30-8 (1981)//)\\
 +Vapour pressure, Pa at 25°C: ~ 0.004\\
 +0 mmHg (approx)\\
 +===LogP===
 +1.19\\
 +(//HANSCH,C ET AL. (1995)//)\\
 +log Kow = 1.19\\
 +(//Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic,​ Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 54//)\\
 +===Stability===
 +STABLE IN DRY AIR; IN MOIST AIR IT IS GRADUALLY HYDROLYZED INTO SALICYLIC AND ACETIC ACIDS\\
 +(//​Budavari,​ S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 134//)\\
 +In aqueous solutions, aspirin is most stable at a pH of 2-3, less stable at a pH of 4-8, and least stable at a pH less than 2 or greater than 8. In a saturated aqueous solution at a pH of 5-7, aspirin is almost completely hydrolyzed within 1 week at 25 deg C.\\
 +(//McEvoy, G.K. (ed.). American Hospital Formulary Service. ​    AHFS Drug Information. American Society of Health-System ​    ​Pharmacists,​ Bethesda, MD. 2007., p. 2037//)\\
 +===Decomposition===
 +When heated to decomposition it emits acrid smoke and fumes.\\
 +(//Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience,​ Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 57//)\\
 +140°C\\
 +===Caco2 Permeability===
 +-5.06\\
 +(//ADME Research, USCD//)\\
 +===pKa===
 +3.49 (at 25 °C)\\
 +(//MERCK INDEX (1983)//)\\
 +===Dissociation Constants===
 +pKa = 3.49 at 25 deg C\\
 +(//​O'​Neil,​ M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ:  Merck and Co., Inc., 2006., p. 140//)\\
 +===Kovats Retention Index===
 +1270\\
 +1315\\
 +1309\\
 +==Drug and Medication Information==
12123132131.txt · Last modified: 2018/11/24 14:00 by j