1-Acetylcyclooctene
Basic information
- CAS
17339-74-1- Standard SMILES
CC(=O)/C1=C/CCCCCC1- InChIKey
OTTUWUUZYZNZJD-JXMROGBWSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- 1-Acetylcyclooctene
- IUPAC
- 1-[(1E)-cycloocten-1-yl]ethanone
Names & synonyms
17339-74-11-AcetylcycloocteneRefChem:227341Ethanone, 1-(1-cycloocten-1-yl)-1-[(1E)-cycloocten-1-yl]ethanone1-(CYCLOOCT-1-EN-1-YL)ETHANONEEthanone, 1-(1-cycloocten-1-yl)-, (Z)- (9CI)127649-04-11-(cycloocten-1-yl)ethanoneSCHEMBL1229915SCHEMBL22639104147384-72-3
Database identifiers
- CAS
17339-74-1- PubChem CID
- 12697181
- EC Number
- 466-270-0
- Nikkaji
- J1.652.514F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Ethanone, 1-(1-cycloocten-1-yl)-) -> IFRA transparency List
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1300 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-(1-cycloocten-1-yl)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 1-CYCLOOCT-3-ENYLETHANONE (MAIN ISOMER) (EC: 466-270-0)
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 2 consumer products that contain Ethanone, 1-(1-cycloocten-1-yl)- in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationEthanone, 1-(1-cycloocten-1-yl)-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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