3-Buten-2-one, 3-methyl-4-(3,5,6-trimethyl-3-cyclohexen-1-yl)-
Basic information
- CAS
67801-31-4- Standard SMILES
CC(=O)/C(C)=C/C1CC(C)=CC(C)C1C- InChIKey
UBAUJRANUAYEKE-DHZHZOJOSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- 3-Buten-2-one, 3-methyl-4-(3,5,6-trimethyl-3-cyclohexen-1-yl)-
- IUPAC
- (E)-3-methyl-4-(3,5,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one
Names & synonyms
EINECS 267-151-43-Methyl-4-(3,5,6-trimethyl-3-cyclohexen-1-yl)-3-buten-2-one67801-31-43-Methyl-4-(2,3,5-trimethyl-4-cyclohexen-1-yl)-3-buten-2-one3-Buten-2-one, 3-methyl-4-(3,5,6-trimethyl-3-cyclohexen-1-yl)-DTXSID30867340RefChem:499449DTXCID80815533267-151-4UBAUJRANUAYEKE-DHZHZOJOSA-N
Database identifiers
- CAS
67801-31-4- PubChem CID
- 6437271
- EC Number
- 267-151-4
- Nikkaji
- J317.157D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
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, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationChemical: 3-Buten-2-one, 3-methyl-4-(3,5,6-trimethyl-3-cyclohexen-1-yl)-
Other Safety InformationIMAP assessments - Ionones: Human health tier II assessment
Hazard Classes and CategoriesEye irritation - category 2A
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Buten-2-one, 3-methyl-4-(3,5,6-trimethyl-3-cyclohexen-1-yl)-: INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…