2-Ethylhexyl acetate
Properties
- Molecular formula
- C10H20O2
- Molar mass
- 172.27 g/mol
- Exact mass
- 172.1463 Da
- Density
- 0.8718 g/mL (at 20 °C)
- Melting point
- −80 °C
- Boiling point
- 199 °C
- Flash point
- 88 °C (closed cup)
- Water solubility
- miscible
- logP
- 2.77Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 6
Hazards
Warning
- H315 Causes skin irritation81.5% of notifiers
Aggregated from 2,166 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P280, P302+P352, P321, P332+P317, P362+P364
Identifiers
CAS number
103-09-3SMILES
CCCCC(CC)COC(C)=OInChIKey
WOYWLLHHWAMFCB-UHFFFAOYSA-NInChI
InChI=1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Acetic acid, 2-ethylhexyl ester
- 1-Hexanol, 2-ethyl-, acetate
- 2-Ethyl-1-hexyl acetate
- 2-Ethyl-1-hexanol acetate
- Octyl acetate
- β-Ethylhexyl acetate
- NSC 8897
- OctASOLV
Work with 2-Ethylhexyl 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
Similar compounds
2-Ethylbutyl acetate10031-87-572 % similar
2-Ethylhexyl peroxydicarbonate16111-62-965 % similar
2-Ethylhexyl chloroformate24468-13-165 % similar
Bis(2-ethylhexyl) adipate103-23-163 % similar
2-Ethylhexyl fumarate141-02-663 % similar
Bis(2-ethylhexyl) maleate142-16-563 % similar
Ethylhexyl methacrylate688-84-662 % similar
Dioctyl azelate103-24-261 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds