Basic information
- CAS
2639-64-7- Standard SMILES
CCCCCCCCCOC(=O)CCC- InChIKey
RVNCBAPCNVAWOY-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Overview
Nonyl butyrate is a carboxylic ester.
Names & identifiers
- Preferred name
- Nonyl butyrate
- IUPAC
- nonyl butanoate
- English name
- nonyl butyrate
- Molecular formula
- C13H26O2
- Molecular weight
- 214.34
Names & synonyms
Nonyl butyratenonyl butanoate2639-64-7Butanoic acid, nonyl esterWE(9:0/4:0)Butanoic acid nonyl esterNonyl butyrate #EINECS 220-137-1AI3-33560Butyric acid, nonyl esterSCHEMBL333278SCHEMBL7836016
Show more names
SCHEMBL7839343DTXSID40180991CHEBI:1801155QR2254KJ2LMFA07010421SFE 9:0/4:0NS00028105
Database identifiers
- CAS
2639-64-7- PubChem CID
- 75836
- DTXSID
DTXSID40180991- ChEBI
CHEBI:180115- UNII
- 5QR2254KJ2
- EC Number
- 220-137-1
- Nikkaji
- J192.161D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -51 °C · -51°C (estimate)
- Boiling point
- 261.85 °C · 261.85°C
- Density
- 0.8586 · 0.8586
- refractive index
- 1.426 · 1.4260
- LogP
- 5.371 · 5.371 (est)
Chemistry & industry
Suppliers4 total
吉良化学21-62165282 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
BOC Sciences[email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Additional notes
DefinitionChEBI: Nonyl butyrate is a carboxylic ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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