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Substance Name: 3-Hexenol
RN: 928-96-1
UNII: V14F8G75P4
InChIKey: UFLHIIWVXFIJGU-ARJAWSKDSA-N

Note

  • A green odor chemical.

Molecular Formula

  • C6-H12-O

Molecular Weight

  • 100.1598
 
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Names and Synonyms

Name of Substance

  • 3-Hexen-1-ol
  • 3-Hexenol
  • Leaf alcohol

Synonyms

  • (Z)-3-Hexen-1-ol
  • (Z)-Hex-3-en-1-ol
  • 3-Hexen-1-ol, (Z)-
  • 3-Hexen-1-ol, cis-
  • 4-01-00-02141 (Beilstein Handbook Reference)
  • AI3-34793
  • beta-gamma-Hexenol
  • Blatteralkohol
  • BRN 1719712
  • cis-3-Hexenol
  • cis-3-Hexenol (natural)
  • EC 213-192-8
  • EINECS 213-192-8
  • FEMA No. 2563
  • HSDB 8267
  • Leaf alcohol
  • NSC 74451
  • UNII-V14F8G75P4
  • Z-3-Hexenol

Systematic Names

  • 3-Hexen-1-ol, (3Z)-
  • 3-Hexen-1-ol, (Z)-
  • cis-Hex-3-en-1-ol

Superlist Names

  • 3-Hexen-1-ol, (Z)-
  • 3-Hexen-1-ol, cis-

Registry Numbers

CAS Registry Number

  • 928-96-1

FDA UNII

  • V14F8G75P4

Other Registry Numbers

  • 82658-58-0
  • 95123-47-0

System Generated Number

  • 0000928961

Structure Descriptors

InChI

InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-

InChIKey

UFLHIIWVXFIJGU-ARJAWSKDSA-N

Smiles

CC\C=C/CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Food and Cosmetics Toxicology. Vol. 7, Pg. 451, 1969.
mouse LD50 oral 7gm/kg (7000mg/kg)   Food and Cosmetics Toxicology. Vol. 7, Pg. 451, 1969.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 909, 1974.
rat LD50 intraperitoneal 600mg/kg (600mg/kg)   Food and Cosmetics Toxicology. Vol. 7, Pg. 451, 1969.
rat LD50 oral 4700mg/kg (4700mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 909, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 156.5 deg C   EXP
log P (octanol-water) 1.610 (none)   EST
Atmospheric OH Rate Constant 1.10E-10 cm3/molecule-sec 23 EXP

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