1,4-Methanonaphthalen-5-ol, 1,4,4a,5,6,7,8,8a-octahydro-5-methyl-, 5-acetate
Basic information
- CAS
72089-07-7- Standard SMILES
CC(=O)OC1(C)CCCC2C3C=CC(C3)C21- InChIKey
HSLYLHLFKJXFCS-UHFFFAOYSA-N- Molecular formula
- C14H20O2
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.14632988
Names & identifiers
- Preferred name
- 1,4-Methanonaphthalen-5-ol, 1,4,4a,5,6,7,8,8a-octahydro-5-methyl-, 5-acetate
- IUPAC
- (3-methyl-3-tricyclo[6.2.1.02,7]undec-9-enyl) acetate
- English name
- 1,4,4a,5,6,7,8,8a-octahydro-5-methyl-1,4-methanonaphthalen-5-yl acetate
- Molecular formula
- C14H20O2
- Molecular weight
- 220.31
Names & synonyms
72089-07-7EINECS 276-332-7DTXSID008880471,4-Methanonaphthalen-5-ol, 1,4,4a,5,6,7,8,8a-octahydro-5-methyl-, 5-acetate1,4-Methanonaphthalen-5-ol, 1,4,4a,5,6,7,8,8a-octahydro-5-methyl-, acetateRefChem:73357DTXCID5010273291,4,4a,5,6,7,8,8a-Octahydro-5-methyl-1,4-methanonaphthalen-5-yl acetateHSLYLHLFKJXFCS-UHFFFAOYSA-NNS000633085-methyl-1,4,4a,5,6,7,8,8a-octahydro-1,4-methanonaphthalen-5-yl acetateAcetic acid (1,4,4a,5,6,7,8,8a-octahydro-5-methyl-1,4-methanonaphthalen)-5-yl ester
Database identifiers
- CAS
72089-07-7- PubChem CID
- 174897
- DTXSID
DTXSID00888047- EC Number
- 276-332-7
- Nikkaji
- J295.142H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Boiling point
- 283.5 · 283.5±29.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1,4-Methanonaphthalen-5-ol, 1,4,4a,5,6,7,8,8a-octahydro-5-methyl-, acetate (72089-07-7)
- 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: 1,4-Methanonaphthalen-5-ol, 1,4,4a,5,6,7,8,8a-octahydro-5-methyl-, acetate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Methanonaphthalen-5-ol, 1,4,4a,5,6,7,8,8a-octahydro-5-methyl-, 5-acetate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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