1-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one
Basic information
- CAS
67801-30-3- Standard SMILES
CCC(=O)/C=C/C1C(C)C=C(C)CC1C- InChIKey
FDKVIOKCJHJJNX-VOTSOKGWSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- 1-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one
- IUPAC
- (E)-1-(2,4,6-trimethylcyclohex-3-en-1-yl)pent-1-en-3-one
Names & synonyms
EINECS 267-150-9UNII-G541P2ICU5G541P2ICU51-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one67801-30-31-Penten-3-one, 1-(2,4,6-trimethyl-3-cyclohexen-1-yl)-DTXSID20867339RefChem:73983DTXCID20815532267-150-95-(2,4,6-Trimethyl-3-cyclohexen-1-yl)pent-4-en-3-oneSCHEMBL20608612
Show more names
Q27278767
Database identifiers
- CAS
67801-30-3- PubChem CID
- 6437270
- UNII
- G541P2ICU5
- EC Number
- 267-150-9
- Nikkaji
- J317.156F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 286
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: 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)
Hazard information
Regulatory InformationChemical: 4-Penten-3-one, 5-(2,4,6-trimethyl-3-cyclohexen-1-yl)-
Other Safety InformationIMAP assessments - Ionones: Human health tier II assessment
Hazard Classes and CategoriesSkin irritation - category 2
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Penten-3-one, 1-(2,4,6-trimethyl-3-cyclohexen-1-yl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…