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Substance Name: Nerol acetate
RN: 141-12-8
UNII: OF82IJU18H
InChIKey: HIGQPQRQIQDZMP-FLIBITNWSA-N

Molecular Formula

  • C12-H20-O2

Molecular Weight

  • 196.288
 
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Names and Synonyms

Name of Substance

  • Nerol acetate

Synonyms

  • 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-
  • 2-02-00-00153 (Beilstein Handbook Reference)
  • 3,7-Dimethyl-2,6-octadien-1-yl acetate, cis-
  • 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, cis-
  • 3,7-Dimethyl-2,6-octadienyl acetate, (Z)-
  • AI3-35817
  • BRN 1722814
  • cis-3,7-Dimethyl-2,6-octadien-1-ol acetate
  • EINECS 205-459-2
  • FEMA No. 2773
  • Geranyl acetate, cis-
  • Nerol acetate (6CI)
  • Neryl acetate
  • Neryl acetate (natural)
  • Neryl ethanoate
  • NSC-72031
  • UNII-OF82IJU18H

Systematic Names

  • 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2Z)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-
  • Neryl acetate

Superlist Name

  • Neryl acetate

Registry Numbers

CAS Registry Number

  • 141-12-8

FDA UNII

  • OF82IJU18H

Other Registry Number

  • 130396-85-9

System Generated Number

  • 0000141128

Structure Descriptors

InChI

1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-

InChIKey

HIGQPQRQIQDZMP-FLIBITNWSA-N

Smiles

C(=C\COC(=O)C)(\CC/C=C(/C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 625, 1976.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 625, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 235 deg C   EXP
log P (octanol-water) 3.98 (none)   EXP

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