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Properties of substance:

2-acetoxybenzoic acid

Synonyms:

acetylsalicylic acid
aspirin

Group of substances:

organic

Physical appearance:

colorless needles crystals

Empirical formula (Hill's system for organic substances):

C9H8O4

Structural formula as text:

CH3COOC6H4COOH

Molar/atomic mass: 180.157

Melting point (°C):

136.5

Decomposition temperature (°C):

140

CAS №: 50-78-2

Solubility (g/100 g of solvent):

1,4-dioxane: 11 (25°C) [Ref.]
1-butanol: 11.8 (25°C) [Ref.]
1-decanol: 4.3 (25°C) [Ref.]
1-heptanol: 6.3 (25°C) [Ref.]
1-hexanol: 7.2 (25°C) [Ref.]
1-octanol: 5.1 (25°C) [Ref.]
1-pentanol: 8.4 (25°C) [Ref.]
2-butanol: 13.8 (25°C) [Ref.]
2-ethyl-1-hexanol: 4.3 (25°C) [Ref.]
2-methyl-1-butanol: 7.3 (25°C) [Ref.]
2-methyl-1-pentanol: 5.8 (25°C) [Ref.]
3,7-dimethyl-1-octanol: 3.6 (25°C) [Ref.]
4-methyl-2-pentanol: 7.2 (25°C) [Ref.]
acetone: 20.1 (8.75°C) [Ref.]
acetone: 29 (20°C) [Ref.]
acetone: 60 (53.15°C) [Ref.]
acetonitrile: 8.3 (25°C) [Ref.]
amyl acetate: 3.8 (25°C) [Ref.]
benzene: 0.325 (25°C) [Ref.]
benzylamine: soluble [Ref.]
butyl acetate: 5.4 (25°C) [Ref.]
carbon tetrachloride: 0.04 (25°C) [Ref.]
chloroform: 5.9 (20°C) [Ref.]
cyclohexane: 0.081 (25°C) [Ref.]
dibutyl ether: 1 (25°C) [Ref.]
dibutylamine: soluble [Ref.]
diethyl ether: 3.57 (20°C) [Ref.]
diethylamine: soluble [Ref.]
diisopropyl ether: 2.2 (25°C) [Ref.]
dipropylamine: soluble [Ref.]
ethanol: 10 (3.15°C) [Ref.]
ethanol: 20.15 (18.75°C) [Ref.]
ethanol: 60 (48.35°C) [Ref.]
ethanol: 100 (63.45°C) [Ref.]
ethanol 90%: 24.4 (20°C) [Ref.]
ethyl acetate: 9.6 (25°C) [Ref.]
glycerol 98.5%: 0.88 (20°C) [Ref.]
hexane: 7.4 (25°C) [Ref.]
i-amyl alcohol: 8.1 (25°C) [Ref.]
i-butanol: 8 (25°C) [Ref.]
i-propanol: 3.9 (8.45°C) [Ref.]
i-propanol: 9.9 (18.65°C) [Ref.]
i-propanol: 16.6 (25°C) [Ref.]
i-propanol: 20.2 (30.95°C) [Ref.]
i-propanol: 30 (39.75°C) [Ref.]
i-propanol: 44 (49.55°C) [Ref.]
i-propanol: 60.1 (57.05°C) [Ref.]
methanol: 43.6 (25°C) [Ref.]
methyl acetate: 13.6 (25°C) [Ref.]
methyl butyrate: 5.4 (25°C) [Ref.]
methyl tert-butyl ether: 8.5 (25°C) [Ref.]
n-butylamine: very soluble [Ref.]
propylene carbonate: 5.7 (25°C) [Ref.]
propylene glycol: 4.1 (22.55°C) [Ref.]
propylene glycol: 6.1 (27.95°C) [Ref.]
propylene glycol: 10.1 (35.05°C) [Ref.]
propylene glycol: 18.1 (45.15°C) [Ref.]
propylene glycol: 40.2 (60.75°C) [Ref.]
tert-butanol: 17.9 (25°C) [Ref.]
tetrahydrofuran: 58.8 (25°C) [Ref.]
toluene: 0.25 (25°C) [Ref.]
tributylamine: sparingly soluble [Ref.]
triethylamine: soluble [Ref.]
water: 0.25 (15°C) [Ref.]
water: 0.38 (20°C) [Ref.]
water: 0.46 (25°C) [Ref.]
water: 0.51 (30°C) [Ref.]
water: 0.79 (40°C) [Ref.]
water: 0.89 (50°C) [Ref.]
water: 1.23 (60.17°C) [Ref.]

Numerical data:

Year of discovery: 1843

Surface tension (mN/m):

60.06 (25.9°C)

LD50 (mg/kg):

1010 (rabbits, oral)
200 (rats, oral)
1600 (rats, subcutaneous)
340 (rats, intraperitoneal)
1075 (guinea pig, oral)
250 (mice, oral)
1520 (mice, subcutaneous)
280 (mice, intraperitoneal)
700 (dogs, oral)
581 (dogs, intravenous)

References:

  1. Buschmann H., Christoph T., Friderichs E., Maul C., Sundermann B. Analgesics from Chemistry and Pharmacology to Clinical Application. - 2002. - pp. 44
  2. Clarke's isolation and identification of drugs. - 2ed. - London: Pharmaceutical press, 1986. - pp. 361-362
  3. Dictionary of organic compounds. - vol.1, Abietic acid - Dypnone. - London, 1946. - pp. 25
  4. Gangolli S. The Dictionary of Substances and their Effects. - 2 ed., Vol. 1, A-B. - RSC, 1999. - pp. 48-50
  5. Journal of Physical and Chemical Reference Data. - 2013. - Vol. 42, No. 3. - pp. 033103-84 - 033103-104
  6. Jouyban A. Handbook of solubility data for pharmaceutacals. – CRC Press, 2010. - pp. 72-73
  7. Kleemann A. Pharmaceutical Substances. - 2000. - pp. 28-29
  8. Lewis R.J. Sax's Dangerous Properties of Industrial Materials. - 11ed. - Wiley-interscience, 2004. - pp. 56-57
  9. Pohanish R.P. Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens. - 6 ed. - Elsivier, 2012. - pp. 51-53
  10. Seidell A. Solubilities of organic compounds. - 3ed., vol.2. - New York: D. Van Nostrand Company, 1941. - pp. 630-631
  11. The Merck Index 11th ed., Merck & Company, 1989. - pp. 134
  12. Yalkowsky S.H., Yan H. Handbook of aqueous solubility data. - CRC Press, 2003. - pp. 557-558
  13. Полюдек-Фабини Р., Бейрих Т. Органический анализ. - Л.: Химия, 1981. - pp. 164-166 [Russian]
  14. Рабинович В.А., Хавин З.Я. Краткий химический справочник. - Л.: Химия, 1977. - pp. 126 [Russian]
  15. Справочник по растворимости. - Т.1, Кн.2. - М.-Л.: ИАН СССР, 1962. - pp. 1032, 1305 [Russian]
  16. Хёрд Ч.Д. Пиролиз соединений углерода. - Л.-М.: ГОНТИ РКТП СССР, 1938. - pp. 533 [Russian]
  17. Халецкий А.М. Фармацевтическая химия. - Л.: Медицина, 1966. - pp. 174-175 [Russian]
  18. Химическая энциклопедия. - Т. 1. - М.: Советская энциклопедия, 1988. - pp. 229 [Russian]

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    © Collected Ruslan Anatolievich Kiper, burewestnik@mail.ru