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Substance Name: 2-Hexen-1-ol, (2E)-
RN: 928-95-0
UNII: BVP79C4821
InChIKey: ZCHHRLHTBGRGOT-SNAWJCMRSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H12-O

Molecular Weight

  • 100.16
 
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Names and Synonyms

Name of Substance

  • 2-Hexen-1-ol, (2E)-

Synonyms

  • (E)-2-Hexen-1-ol
  • 2-Hexen-1-ol, (E)-
  • 2-Hexen-1-ol, trans-
  • 4-01-00-02138 (Beilstein Handbook Reference)
  • AI3-34792
  • BRN 1719709
  • EINECS 213-191-2
  • FEMA No. 2562
  • trans-2-Hexenol
  • trans-2-Hexenol (natural)
  • UNII-BVP79C4821

Systematic Names

  • 2-Hexen-1-ol, (2E)-
  • 2-Hexen-1-ol, (E)-
  • trans-Hex-2-en-1-ol

Registry Numbers

CAS Registry Number

  • 928-95-0

FDA UNII

  • BVP79C4821

System Generated Number

  • 0000928950

Structure Descriptors

InChI

1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+

InChIKey

ZCHHRLHTBGRGOT-SNAWJCMRSA-N

Smiles

C(\CCC)=C\CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 4500mg/kg (4500mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 911, 1974.
rat LD50 oral 3500mg/kg (3500mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 911, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 157 deg C   EXP
log P (octanol-water) 1.610 (none)   EST
Atmospheric OH Rate Constant 6.23E-11 cm3/molecule-sec 25 EST

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