Basic information
- CAS
3439-94-9- Standard SMILES
CC(=O)OC1CC2CC1C1C3C=CC(C3)C21- InChIKey
ODYDQOOXSVNMCJ-UHFFFAOYSA-N- Molecular formula
- C14H18O2
- Average molar mass
- 218.29 g/mol
- Monoisotopic mass
- 218.13067981
Names & identifiers
- Preferred name
- 1,2,3,4,4a,5,8,8a-Octahydro-1,4:5,8-dimethanonaphth-2-yl acetate
- IUPAC
- 4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl acetate
- English name
- 1,2,3,4,4a,5,8,8a-Octahydro-1,4:5,8-dimethanonaphth-2-yl acetate
- Molecular formula
- C14H18O2
- Molecular weight
- 218.29
Names & synonyms
1,2,3,4,4A,5,8,8A-OCTAHYDRO-1,4:5,8-DIMETHANONAPHTH-2-YL ACETATERefChem:410433630-961-71,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-yl acetate3439-94-9NSC110580SCHEMBL8140680DTXSID40955944ODYDQOOXSVNMCJ-UHFFFAOYSA-NAKOS024332896NSC-1105808-acetoxytetracyclo[4.4.0.12,5.17,10]dodec-3-ene
Show more names
1,4:5,8-Dimethanonaphthalen-2-ol, 1,2,3,4,4a,5,8,8a-octahydro-, 2-acetate
Database identifiers
- CAS
3439-94-9- PubChem CID
- 269443
- DTXSID
DTXSID40955944- EC Number
- 630-961-7
- Nikkaji
- J1.414.829I
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 373
Physicochemical properties
- Melting point
- 104 · 104-105.5 °C
- Boiling point
- 140 · 140-150 °C(Press: 13 Torr)
- Density
- 1.1205 g/cm3 · 1.1205 g/cm3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers3 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Sigma-Aldrich Japan K.K.[email protected]
SIGMAALDRICH—
Related reactions
2 records
Compound notes
Loading…