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Substance Name: Sorbic acid [NF]
RN: 110-44-1
UNII: X045WJ989B
InChIKey: WSWCOQWTEOXDQX-MQQKCMAXSA-N

Note

  • Mold and yeast inhibitor. Used as a fungistatic agent for foods, especially cheeses.

Molecular Formula

  • C6-H8-O2

Molecular Weight

  • 112.127
 

Classification Codes

  • Agricultural Chemical
  • Food Additives
  • Food Preservatives
  • Fungicide, Bactericide, Wood Preservative
  • Mutation Data
  • Pharmaceutic Aid (Antimicrobial Agent)
  • Skin / Eye Irritant
  • TSCA Flag T (Subject to the Section 4 Test Rule under TSCA)
  • Tumor Data

Names and Synonyms

Name of Substance

  • Sorbic acid
  • Sorbic acid [NF]

MeSH Heading

  • Sorbic acid

Synonyms

  • (E,E)-2,4-Hexadienoic acid
  • (E,E)-Sorbic acid; Sorbic acid
  • 1,3-Pentadiene-1-carboxylic acid, (E,E)-
  • 2,4-Hexadienoic acid
  • 2,4-Hexadienoic acid, (E,E)-
  • 2-Propenylacrylic acid
  • 2E,4E-Hexadienoic acid
  • Acetic acid, (2-butenylidene)-
  • Acetic acid, crotylidene-
  • AI3-14851
  • alpha-trans-gamma-trans-Sorbic acid
  • Caswell No. 801
  • CCRIS 5748
  • E 200
  • EC 203-768-7
  • EINECS 203-768-7
  • EPA Pesticide Chemical Code 075901
  • Hexadienoic acid
  • HSDB 590
  • Kyselina 1,3-pentadien-1-karboxylova
  • Kyselina 1,3-pentadien-1-karboxylova [Czech]
  • Kyselina sorbova
  • Kyselina sorbova [Czech]
  • Panosorb
  • Sorbic acid
  • Sorbistat
  • trans,trans-Sorbic acid
  • trans-trans-2,4-Hexadienoic acid
  • UNII-X045WJ989B

Systematic Names

  • 2,4-Hexadienoic acid, (2E,4E)-
  • 2,4-Hexadienoic acid, (E,E)-
  • Hexa-2,4-dienoic acid
  • Sorbic acid

Superlist Name

  • Sorbic acid

Registry Numbers

CAS Registry Number

  • 110-44-1

FDA UNII

  • X045WJ989B

Other Registry Numbers

  • 1197240-56-4
  • 91751-55-2

System Generated Number

  • 0000110441

Structure Descriptors

InChI

1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+

InChIKey

WSWCOQWTEOXDQX-MQQKCMAXSA-N

Smiles

C(=C\C=C\C)\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2820mg/kg (2820mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
mouse LD50 oral 3200mg/kg (3200mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982.
mouse LD50 subcutaneous 2820mg/kg (2820mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
rabbit LD skin > 1gm/kg (1000mg/kg)   Union Carbide Data Sheet. Vol. 7/14/1965,
rat LD50 intraperitoneal 800mg/kg (800mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982.
rat LD50 oral 7360mg/kg (7360mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 134.5 deg C   EXP
log P (octanol-water) 1.33 (none)   EXP
Water Solubility 1910 mg/L 30 EXP
Vapor Pressure 0.134 mm Hg 25 EST
Henry's Law Constant 5.72E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.04E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.