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Substance Name: Sorbic alcohol
RN: 111-28-4
InChIKey: MEIRRNXMZYDVDW-MQQKCMAXSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data
  • Skin / Eye Irritant

Molecular Formula

  • C6-H10-O

Molecular Weight

  • 98.144
 
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Names and Synonyms

Name of Substance

  • Sorbic alcohol
  • Sorbyl alcohol

Synonyms

  • 1-Hydroxy-2,4-hexadiene
  • 2,4-Hexadienol
  • AI3-30249
  • EINECS 203-853-9
  • Hexacose
  • Hexadenol
  • Hexakose
  • Hexene-ol
  • Hexenol
  • Sorbic alcohol
  • Sorbinic alcohol
  • Sorbyl alcohol

Systematic Name

  • 2,4-Hexadien-1-ol

Registry Numbers

CAS Registry Number

  • 111-28-4

System Generated Number

  • 0000111284

Structure Descriptors

InChI

InChI=1S/C6H10O/c1-2-3-4-5-6-7/h2-5,7H,6H2,1H3/b3-2+,5-4+

InChIKey

MEIRRNXMZYDVDW-MQQKCMAXSA-N

Smiles

C\C=C\C=C\CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo skin 14mg/kg (14mg/kg) SKIN AND APPENDAGES (SKIN): SWEATING: OTHER Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 34, Pg. 221, 1945.
rabbit LD50 skin 1010uL/kg (1.01mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rabbit LDLo subcutaneous 5gm/kg (5000mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 34, Pg. 221, 1945.
rat LD50 oral 2140uL/kg (2.14mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 30.5 deg C   EXP
log P (octanol-water) 1.390 (none)   EST
Atmospheric OH Rate Constant 1.46E-10 cm3/molecule-sec 25 EST

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