1,2,3,4,5,6,7,8,9,10-Decahydro-5,9-methanobenzocycloocten-11-one
Basic information
- CAS
22690-27-3- Standard SMILES
CC1C2=C(CCCC2)C2CCCC1C2=O- InChIKey
WJPULIHSNITDMU-UHFFFAOYSA-N- Molecular formula
- C14H20O
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.15141526
Names & identifiers
- Preferred name
- 1,2,3,4,5,6,7,8,9,10-Decahydro-5,9-methanobenzocycloocten-11-one
- IUPAC
- 8-methyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-one
- English name
- 1,2,3,4,5,6,7,8,9,10-decahydro-5,9-methanobenzocycloocten-11-one
- Molecular formula
- C14H20O
- Molecular weight
- 204.31
Names & synonyms
22690-27-35,9-Methanobenzocycloocten-11-one, 1,2,3,4,5,6,7,8,9,10-decahydro-10-methyl-EINECS 245-158-31,2,3,4,5,6,7,8,9,10-Decahydro-5,9-methanobenzocycloocten-11-oneDTXSID4051877RefChem:410440DTXCID2030437245-158-38-methyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-one10-methyl-1,2,3,4,5,6,7,8,9,10-decahydro-5,9-methanobenzo[8]annulen-11-oneSCHEMBL20608631WJPULIHSNITDMU-UHFFFAOYSA-N
Show more names
1,2,3,4,5,6,7,8,9,10-decahydro-10-methyl-9-methanobenzocycloocten-11-one1,2,3,4,5,6,7,8,9,10-Decahydro-10-methyl-5,9-methanobenzocycloocten-11-one9-Methanobenzocycloocten-11-one, 1,2,3,4,5,6,7,8,9,10-decahydro-10-methyl-5
NS00012182
Database identifiers
- CAS
22690-27-3- PubChem CID
- 90830
- DTXSID
DTXSID4051877- EC Number
- 245-158-3
- Nikkaji
- J286.272G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
FragrancesFragrance Ingredient (1,2,3,4,5,6,7,8,9,10-Decahydro-5,9-methanobenzocycloocten-11-one) -> IFRA transparency List
Physicochemical properties
- Melting point
- 128 °C · 128 °C
- Boiling point
- 98 °C · 98 °C(Press: 0.3 Torr)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.504 · 3.504 (est)
- EPA Substance Registry System
- 5 · 5,9-Methanobenzocycloocten-11-one, 1,2,3,4,5,6,7,8,9,10-decahydro-10-methyl- (22690-27-3)
- 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.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 5,9-Methanobenzocycloocten-11-one, 1,2,3,4,5,6,7,8,9,10-decahydro-10-methyl-
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information5,9-Methanobenzocycloocten-11-one, 1,2,3,4,5,6,7,8,9,10-decahydro-10-methyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…