(-)-Bornyl acetate

C12H20O2CAS 5655-61-8196.29 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C12H20O2
Molar mass
196.29 g/mol
Exact mass
196.1463 Da
Density
0.981–0.985 g/mL
Boiling point
224–226 °C
logP
2.76Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1
Stereocentres
R, S, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS by 1,557 ECHA notifiers. Aggregated from 1,557 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
5655-61-8
SMILES
CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChIKey
KGEKLUUHTZCSIP-HOSYDEDBSA-N
InChI
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

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

12 names
  • Bornyl acetate, (-)-
  • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1S,2R,4S)-
  • Borneol, acetate, (1S,2R,4S)-(-)-
  • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S-endo)-
  • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2R,4S)-
  • Borneol, l-, acetate
  • Levo-Bornyl acetate
  • l-Bornyl acetate
  • 1S-endo-Bornyl acetate
  • (1S-Endo)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl acetate
  • (1S)-1,7,7-Trimethylbicyclo[2.2.1]-2-heptanol acetate
  • (-)-Borneol acetate

Work with (-)-Bornyl acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-Borneol acetate20347-65-3Enantiomer Isobornyl acetate125-12-2Diastereomer Bornyl acetate76-49-3

Similar compounds

Isobornyl methacrylate7534-94-364 % similar Isobornyl acrylate5888-33-562 % similar Isobornyl isovalerate7779-73-962 % similar Isobornyl thiocyanoacetate115-31-155 % similar Isoborneol124-76-544 % similar (+)-Bornylamine32511-34-544 % similar D-Borneol464-43-744 % similar (-)-Borneol464-45-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Geranyl acetate105-87-3 Linalyl acetate115-95-7 Neryl acetate141-12-8 3,7-Dimethylocta-2,6-dienyl acetate16409-44-2 Allyl cyclohexanepropionate2705-87-5 1-Ethylcyclohexyl methacrylate274248-09-8

Elsewhere

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