Manzanate
Properties
- Molecular formula
- C8H16O2
- Molar mass
- 144.21 g/mol
- Exact mass
- 144.1150 Da
- Density
- 0.859–0.865 g/mL
- Boiling point
- 153.5–154 °C (at 758 Torr)
- logP
- 1.99Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H226 Flammable liquid and vapor> 99.9% of notifiers
Aggregated from 1,861 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Identifiers
CAS number
39255-32-8SMILES
CCCC(C)C(=O)OCCInChIKey
HZPKNSYIDSNZKW-UHFFFAOYSA-NInChI
InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Pentanoic acid, 2-methyl-, ethyl ester
- Ethyl α-methylvalerate
- Ethyl 2-methylpentanoate
- Ethyl 2-methylvalerate
- Applinate
Work with Manzanate
Similar compounds
Propylmalonic acid diethyl ester2163-48-666 % similar
Ethyl 2-methylbutanoate7452-79-166 % similar
Methyl 2-methylpentanoate2177-77-763 % similar
1,3-Diethyl 2-(1-methylbutyl)propanedioate117-47-563 % similar
Ethyl α-bromovalerate615-83-859 % similar
1,3-Diethyl 2-butylpropanedioate133-08-456 % similar
Diethyl isoamylmalonate5398-08-356 % similar
Ethyl 2-methyl-4,4,4-trifluorobutyrate136564-76-656 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.