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Substance Name: Geranyl acetate
RN: 105-87-3
UNII: 3W81YG7P9R
InChIKey: HIGQPQRQIQDZMP-DHZHZOJOSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C12-H20-O2

Molecular Weight

  • 196.288
 
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Names and Synonyms

Name of Substance

  • 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate
  • 3,7-Dimethyl-2,6-octadien-1-ol acetate
  • Geranyl acetate

Synonyms

  • 2,6-Dimethyl-2,6-octadiene-8-yl acetate
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate,(E)-
  • 3,7-Dimethyl-2,6-octadien-1-yl ethanoate, trans-
  • 3,7-Dimethyl-2-trans, 6-octadienyl acetate
  • 4-02-00-00204 (Beilstein Handbook Reference)
  • Acetic acid, geraniol ester
  • AI3-00207
  • Bay pine (oyster) oil
  • BRN 1722815
  • CCRIS 877
  • EC 203-341-5
  • EINECS 203-341-5
  • FEMA No. 2509
  • FEMA Number 2509
  • Geraniol acetate
  • Geranyl acetate
  • Geranyl acetate (natural)
  • Geranyl acetate A
  • HSDB 586
  • NCI-C54728
  • NSC 2584
  • trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate
  • trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate
  • trans-3,7-Dimethyl-2,6-octadien-1-yl acetate
  • trans-Geraniol acetate
  • UNII-3W81YG7P9R

Systematic Names

  • 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-
  • Geranyl acetate

Superlist Name

  • Geranyl acetate

Registry Numbers

CAS Registry Number

  • 105-87-3

FDA UNII

  • 3W81YG7P9R

Other Registry Numbers

  • 130396-84-8
  • 8022-83-1

System Generated Number

  • 0000105873

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-DHZHZOJOSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 8gm/kg (8000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Toxicology Program Technical Report Series. Vol. NTP-TR-252, Pg. 1987,
rat LD50 oral 6330mg/kg (6330mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 240 deg C   EXP
log P (octanol-water) 4.04 (none)   EXP
Water Solubility 6.890 mg/L 25 EST
Henry's Law Constant 2.42E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.78E-10 cm3/molecule-sec 25 EST

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