Basic information
- CAS
42185-47-7- Standard SMILES
CC1CCC(C)C(C)C1=O- InChIKey
BUKYTXOAQJIBTL-UHFFFAOYSA-N- Molecular formula
- C9H16O
- Average molar mass
- 140.22 g/mol
- Monoisotopic mass
- 140.12011513
Names & identifiers
- Preferred name
- 2,3,6-Trimethylcyclohexan-1-one
- IUPAC
- 2,3,6-trimethylcyclohexan-1-one
- English name
- Cyclohexanone, 2,3,6-trimethyl-
- Molecular formula
- C9H16O
- Molecular weight
- 140.22
Names & synonyms
2,3,6-trimethylcyclohexan-1-one2,3,6-trimethylcyclohexanoneDTXSID10962347RefChem:441874DTXCID401390155609-995-142185-47-7Cyclohexanone, 2,3,6-trimethyl-2,3,6-trimethyl-cyclohexanoneSCHEMBL2343609BUKYTXOAQJIBTL-UHFFFAOYSA-NSBA18547
Show more names
MFCD24688844EN300-731026G40411
Database identifiers
- CAS
42185-47-7- PubChem CID
- 142583
- DTXSID
DTXSID10962347- EC Number
- 609-995-1
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 140
Physicochemical properties
- Melting point
- 32.57 °C · 32.57°C (estimate)
- Boiling point
- 190.55 °C · 190.55°C
- Density
- 0.9129 · 0.9129
- refractive index
- 1.4464 · 1.4464
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H227-H319
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H227-H319
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
3 records
Compound notes
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