Basic information
- CAS
2230-70-8- Standard SMILES
CC1CC(C)(C)CCC1=O- InChIKey
JEANOXXXGPLTOI-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Overview
Cyclohexanone, 2,4,4-trimethyl- has been reported in Carica papaya with data available.
Names & identifiers
- Preferred name
- 2,4,4-Trimethylcyclohexanone
- IUPAC
- 2,4,4-trimethylcyclohexan-1-one
- English name
- 2,4,4-Trimethylcyclohexanone
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
2,4,4-Trimethylcyclohexanone2230-70-8Cyclohexanone, 2,4,4-trimethyl-DTXSID60870948RefChem:81983DTXCID808186252,4,4-trimethylcyclohexan-1-oneSCHEMBL26910371.1.3-Trimethylcyclohexanon-42,4,4-trimethyl-1-cyclohexanone2,4,4-trimethyl-cyclohexan-1-oneCAA23070
Show more names
2,4,4-trimethylcyclohexane-1-one
AKOS015907291AT33108CS-0265593EN300-99462F676328Z1330860174
Database identifiers
- CAS
2230-70-8- PubChem CID
- 102771
- DTXSID
DTXSID60870948- EC Number
- 817-564-6
- Nikkaji
- J421.605I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 32.57 °C · 32.57°C (estimate)
- Boiling point
- 190.85 °C · 190.85°C
- Density
- 0.902 · 0.9020
- refractive index
- 1.4493 · 1.4493
- Odor
- like thujone
- EPA Substance Registry System
- 2 · Cyclohexanone, 2,4,4-trimethyl- (2230-70-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H227-H319-H315
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- 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
Warning
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Cyclohexanone, 2,4,4-trimethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H227-H319-H315
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanone, 2,4,4-trimethyl-: INACTIVE
Suppliers2 total
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
Richest Group Ltd18017061086 · [email protected]
Related reactions
1 records
Compound notes
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