Citronellyl acetate

C₁₂H₂₂O₂CAS 150-84-5198.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₂₂O₂
Molar mass: 198.31 g/mol
Exact mass: 198.1620 Da
Density: 0.8518 g/mL (at 20 °C)
Boiling point: 241 °C (at 783 Torr)
logP: 3.32Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Identifiers

CAS number

150-84-5

SMILES

CC(=O)OCCC(C)CCC=C(C)C

InChIKey

JOZKFWLRHCDGJA-UHFFFAOYSA-N

InChI

InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3

Weigh it out

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

Names and synonyms

14 names · show all

6-Octen-1-ol, 3,7-dimethyl-, 1-acetate
Citronellol acetate
6-Octen-1-ol, 3,7-dimethyl-, acetate
1-Acetoxy-3,7-dimethyloct-6-ene
β-Citronellyl acetate
8-Acetoxy-2,6-dimethyl-2-octene
Dl-Citronellol acetate
(±)-Citronellyl acetate
NSC 4893
3,7-Dimethyl-6-octen-1-yl acetate
β-Citronellol acetate
Cephrol acetate
O-Acetyl-β-citronellol
3,7-Dimethyloct-6-enyl acetate

Work with Citronellyl 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

Similar compounds

Citronellyl propionate141-14-067 % similar Citronellyl butyrate141-16-263 % similar Citronellyl formate105-85-161 % similar Isoamyl acetate123-92-251 % similar Citronellol106-22-951 % similar (+)-Citronellol1117-61-951 % similar Citronellol26489-01-051 % similar L-Citronellol7540-51-451 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 10-undecenoate111-81-9 4,7-Dimethyl-5-decyn-4,7-diol126-87-4 Menthyl acetate16409-45-3 ε-Dodecalactone16429-21-3 1-Octen-3-yl butyrate16491-54-6 [1,1′-Bicyclohexyl]-4,4′-diol20601-38-1 γ-Dodecalactone2305-05-7 Menthyl acetate2623-23-6

Elsewhere

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