Basic information
- CAS
5461-02-9- Standard SMILES
CCCCCCCCCCCOC(=O)CCC- InChIKey
DPMDQRRFSVRUMR-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Overview
Undecyl butyrate is a carboxylic ester.
Names & identifiers
- Preferred name
- Undecyl butyrate
- IUPAC
- undecyl butanoate
- English name
- Butanoic acid, undecyl ester
- Molecular weight
- 0
Names & synonyms
Undecyl butyrateundecyl butanoateButanoic acid, undecyl ester5461-02-9KBA3GUX35NNSC-235551-UNDECANOL, BUTYRATEDTXSID00203039WE(11:0/4:0)BUTYRIC ACID, UNDECYL ESTEREINECS 226-743-2NSC 23555
Show more names
Butyric acid undecyl ester
RefChem:193109DTXCID50125530226-743-2DPMDQRRFSVRUMR-UHFFFAOYSA-NUNII-KBA3GUX35NSCHEMBL10149467CHEBI:196019NSC23555
Database identifiers
- CAS
5461-02-9- PubChem CID
- 79581
- DTXSID
DTXSID00203039- ChEBI
CHEBI:196019- UNII
- KBA3GUX35N
- EC Number
- 226-743-2
- Nikkaji
- J183.071F
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 166
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
Physicochemical properties
- Melting point
- -41 °C · -41°C (estimate)
- Boiling point
- 285.23 °C · 285.23°C (estimate)
- Density
- 0.8484 · 0.8484 (estimate)
- refractive index
- 1.4109 · 1.4109 (estimate)
- Odor
- 100 % · at 100.00 %. fruity waxy
- Odor Type
- fruity
- LogP
- 6.39 · 6.390 (est)
- FDA UNII
- 3 GUX35N · KBA3GUX35N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Butanoic acid, undecyl ester
Butanoic acid, undecyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Chemistry & industry
Suppliers1 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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