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Substance Name: Linalyl acetate
RN: 115-95-7
UNII: 5K47SSQ51G
InChIKey: UWKAYLJWKGQEPM-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H20-O2

Molecular Weight

  • 196.288
 
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Names and Synonyms

Name of Substance

  • 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
  • 3,7-Dimethyl-1,6-ctadien-3-ol acetate
  • Linalyl acetate

Synonyms

  • 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
  • 3,7-Dimethyl-1,6-octadien-3-ol acetate
  • 3,7-Dimethyl-1,6-octadien-3-yl acetate
  • Acetic acid linalool ester
  • AI3-00941
  • Bergamiol
  • Bergamol
  • Bergamot mint oil
  • EC 204-116-4
  • EINECS 204-116-4
  • EINECS 254-806-4
  • Ex bois de rose (synthetic)
  • FEMA No. 2636
  • HSDB 644
  • Licareol acetate
  • Linalol acetate
  • Linalool acetate
  • Linalyl acetate
  • Linalyl acetate (natural)
  • Lynalyl acetate
  • NSC 2138
  • UNII-5K47SSQ51G

Systematic Names

  • (1)-1,5-Dimethyl-1-vinylhex-4-enyl acetate
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-acetate
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
  • Linalyl acetate

Superlist Names

  • 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
  • Dehydrolinalool, acetate
  • Linalool acetate
  • Linalyl acetate

Registry Numbers

CAS Registry Number

  • 115-95-7

FDA UNII

  • 5K47SSQ51G

Other Registry Numbers

  • 16509-66-3
  • 40135-38-4
  • 8022-85-3

System Generated Number

  • 0000115957

Structure Descriptors

InChI

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

InChIKey

UWKAYLJWKGQEPM-UHFFFAOYSA-N

Smiles

C([C@@](OC(C)=O)(C=C)C)C\C=C(\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 12gm/kg (12000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: ATAXIA		 Toksikologicheskii Vestnik. Vol. (5), Pg. 41, 1994.
rat LD50 oral 13934mg/kg (13934mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: ATAXIA		 Toksikologicheskii Vestnik. Vol. (5), Pg. 41, 1994.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 220 deg C   EXP
log P (octanol-water) 3.93 (none)   EXP
Water Solubility 8.200 mg/L 25 EST
Henry's Law Constant 1.74E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.16E-10 cm3/molecule-sec 25 EST

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