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Substance Name: Bornyl acetate [USAN]
RN: 76-49-3
UNII: 213431586X
InChIKey: KGEKLUUHTZCSIP-HOSYDEDBSA-N

Molecular Formula

  • C12-H20-O2

Molecular Weight

  • 196.288
 
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Names and Synonyms

Name of Substance

  • Bornyl acetate
  • Bornyl acetate [USAN]

Synonyms

  • 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate
  • 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl acetate, endo-
  • 2-Camphanol acetate
  • 2-Camphanyl acetate
  • AI3-00665
  • Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-
  • Borneol, acetate
  • Bornyl acetate
  • Bornyl acetic ether
  • Bornyl ethanoate
  • EINECS 200-964-4
  • endo-2-Camphanyl ethanoate
  • FEMA No. 2159
  • NSC 407158
  • UNII-213431586X

Systematic Names

  • Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel-
  • Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2S,4R)-rel-
  • Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, endo-
  • Borneol, acetate (8CI)
  • endo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acetate

Superlist Names

  • Bornyl acetate
  • endo-Bornyl acetate

Registry Numbers

CAS Registry Number

  • 76-49-3

FDA UNII

  • 213431586X

Other Registry Numbers

  • 1192038-28-0
  • 15313-72-1
  • 36386-52-4
  • 76306-81-5

System Generated Number

  • 0000076493

Structure Descriptors

InChI

1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1

InChIKey

KGEKLUUHTZCSIP-HOSYDEDBSA-N

Smiles

CC(=O)O[C@@H]1C[C@@H]2CC[C@]1(C2(C)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 29 deg C   EXP
Boiling Point 221 deg C   EXP
log P (octanol-water) 3.860 (none)   EST
Water Solubility 23.2 mg/L 25 EST
Vapor Pressure 0.228 mm Hg 25 EXP
Henry's Law Constant 4.37E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.39E-11 cm3/molecule-sec 25 EXP

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