Bicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-, 3-acetate
Basic information
- CAS
15103-33-0- Standard SMILES
CC(=O)OCC1CC2C(C=C1C)C2(C)C- InChIKey
JKPMQDRFEWGKLS-UHFFFAOYSA-N- Molecular formula
- C13H20O2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.14632988
Names & identifiers
- Preferred name
- Bicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-, 3-acetate
- IUPAC
- (4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)methyl acetate
- English name
- 4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ylmethyl acetate
- Molecular formula
- C13H20O2
- Molecular weight
- 208.2967
Names & synonyms
DTXSID70864555Bicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-, acetateBicyclo(4.1.0)hept-4-ene-3-methanol, 4,7,7-trimethyl-, acetateBicyclo(4.1.0)hept-4-ene-3-methanol, 4,7,7-trimethyl-, 3-acetateBicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-, 3-acetateRefChem:568315DTXCID2081305815103-33-0(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl)methyl acetate2-Carene-4-methanol acetate4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ylmethyl acetate2-Carene-4-methanol, acetate
Show more names
4,7,7-Trimethylbicyclo[4.1.0]hept-4-ene-3-methanol acetate
4,7,7-Trimethylbicyclo(4.1.0)hept-4-en-3-ylmethyl acetateJKPMQDRFEWGKLS-UHFFFAOYSA-NEINECS 239-156-1SCHEMBL28846596DB-252920NS00013258(4,7,7-Trimethylbicyclo[4.1.0]hept-4-en-3-yl)methyl acetate
Database identifiers
- CAS
15103-33-0- PubChem CID
- 85801
- DTXSID
DTXSID70864555- EC Number
- 239-156-1
- Nikkaji
- J241.395G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 250.7 · 250.7±9.0 °C(Predicted)
- Density
- 0.98 · 0.980±0.06 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.915 · 3.915 (est)
- EPA Substance Registry System
- 4.1 · Bicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-, acetate (15103-33-0)
- 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.
Hazard information
Regulatory InformationChemical: Bicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-, acetate
Other Safety InformationIMAP assessments - Bicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-, acetate: Human health tier I assessment
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-, 3-acetate: INACTIVE
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Related reactions
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Compound notes
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