Citronellyl formate
Properties
- Molecular formula
- C11H20O2
- Molar mass
- 184.28 g/mol
- Exact mass
- 184.1463 Da
- Density
- 0.89–0.903 g/mL
- Boiling point
- 235 °C
- logP
- 2.93Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 7
Hazards
Warning
- H315 Causes skin irritation82.1% of notifiers
- H317 May cause an allergic skin reaction81.3% of notifiers
Aggregated from 1,783 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P501
Identifiers
CAS number
105-85-1SMILES
CC(C)=CCCC(C)CCOC=OInChIKey
DZNVIZQPWLDQHI-UHFFFAOYSA-NInChI
InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 6-Octen-1-ol, 3,7-dimethyl-, 1-formate
- 6-Octen-1-ol, 3,7-dimethyl-, formate
- Citronellol, formate
- NSC 46117
- 3,7-Dimethyl-6-octen-1-ol formate
- 3,7-Dimethyl-6-octen-1-yl formate
- 3,7-Dimethyloct-6-en-1-yl formate
Work with Citronellyl formate
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
Similar compounds
Citronellyl acetate150-84-561 % similar
Citronellol106-22-957 % similar
(+)-Citronellol1117-61-957 % similar
Citronellol26489-01-057 % similar
L-Citronellol7540-51-457 % similar
Citronellyl propionate141-14-056 % similar
Citric106-23-056 % similar
(R)-Citronellal2385-77-556 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.