chempirical

Isobornyl acetate

C12H20O2CAS 125-12-2196.29 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C12H20O2
Molar mass
196.29 g/mol
Exact mass
196.1463 Da
Melting point
211–212 °C
Boiling point
106–107 °C (at 13 Torr)
logP
2.76Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
125-12-2
SMILES
CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
InChIKey
KGEKLUUHTZCSIP-BEYHTBJANA-N
InChI
InChI=1/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+/s2

Weigh it out

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

Names and synonyms

9 names
  • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-
  • Isoborneol, acetate
  • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, exo-
  • Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1R,2R,4R)-rel-
  • Pichtosine
  • Pichtosin
  • (±)-Isobornyl acetate
  • exo-Bornyl acetate
  • NSC 62486

Work with Isobornyl 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 Isotope patternExact mass and the mass spectrum pattern

Same formula

Geranyl acetate105-87-3 Linalyl acetate115-95-7 Neryl acetate141-12-8 3,7-Dimethyl-2,6-octadienyl acetate16409-44-2 (+)-Borneol acetate20347-65-3 Allyl cyclohexanepropionate2705-87-5 Ethyl decadienoate3025-30-7 (-)-Bornyl acetate5655-61-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia