Basic information
- CAS
13109-70-1- Standard SMILES
CCCC(=O)OC1CC2CCC1(C)C2(C)C- InChIKey
VIPNQHBVIDJXJE-UHFFFAOYSA-N- Molecular formula
- C14H24O2
- Average molar mass
- 224.34 g/mol
- Monoisotopic mass
- 224.17763
Overview
Bornyl butyrate is a monoterpenoid.
Names & identifiers
- Preferred name
- 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl butanoate
- IUPAC
- (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) butanoate
Names & synonyms
DTXSID808643641,7,7-trimethylbicyclo[2.2.1]heptan-2-yl butanoate1,7,7-Trimethylbicyclo(2.2.1)heptan-2-yl butanoateRefChem:1053555DTXCID90224197Borneol, butyrate1,7,7-Trimethylbicyclo[2.2.1]heptan-2-yl butyrateBornyl ester of n-butanoic acidbornylbutyratSCHEMBL310464FEMA 3907CHEBI:171780
Show more names
Butyric acid, 2-bornyl ester (8CI)DB-254095NS00038973NS000863391,7,7-Trimethylbicyclo[2.2.1]hept-2-yl butyrate1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl butyrate #butyric acid 1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yl ester
Database identifiers
- CAS
13109-70-1- PubChem CID
- 97897
- DTXSID
DTXSID80864364- ChEBI
CHEBI:171780- Nikkaji
- J3.087.869H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Solubilityslightly
Boiling Point120.00 to 121.00 °C. @ 10.00 mm Hg
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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