Butanoic acid, 5-(2,3-dimethyltricyclo(2.2.1.02,6)hept-3-yl)-2-methyl-2-pentenyl ester
Basic information
- CAS
67633-99-2- Standard SMILES
CCCC(=O)OC/C(C)=C/CCC1(C)C2CC3C(C2)C31C- InChIKey
QDSFSPZPVZEBGR-MDWZMJQESA-N- Molecular formula
- C19H30O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.2245802
Names & identifiers
- Preferred name
- Butanoic acid, 5-(2,3-dimethyltricyclo(2.2.1.02,6)hept-3-yl)-2-methyl-2-pentenyl ester
- IUPAC
- [(E)-5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-2-enyl] butanoate
- English name
- 5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methylpent-2-enyl butyrate
- Molecular formula
- C19H30O2
- Molecular weight
- 290.44
Names & synonyms
EINECS 266-801-4Butanoic acid, 5-(2,3-dimethyltricyclo(2.2.1.02,6)hept-3-yl)-2-methyl-2-penten-1-yl esterButanoic acid, 5-(2,3-dimethyltricyclo(2.2.1.02,6)hept-3-yl)-2-methyl-2-pentenyl esterSCHEMBL35062475-(2,3-Dimethyltricyclo(2.2.1.02,6)hept-3-yl)-2-methylpent-2-enyl butyrateNS000131885-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methylpent-2-enyl butyrateButanoic acid, 5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methyl-2-pentenyl esterButanoic acid 5-(2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-2-methyl-2-pentenyl ester[5-(2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enyl] butanoate[5-(2,3-dimethyl-4,5,6,7-tetrahydro-1H-tricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enyl] butanoate
Database identifiers
- CAS
67633-99-2- PubChem CID
- 6437243
- Nikkaji
- J342.638F
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 452
Physicochemical properties
- Boiling point
- 357.1 · 357.1±11.0 °C(Predicted)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. woody balsam fruity rose nutty
- Odor Type
- woody
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 6.418 · 6.418 (est)
- EPA Substance Registry System
- 5 · Butanoic acid, 5-(2,3-dimethyltricyclo[2.2.1.02,6]hept-3-yl)-2-methyl-2-pentenyl ester (67633-99-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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