Basic information
- CAS
2320-30-1- Standard SMILES
CC1CC(=O)CC(C)C1- InChIKey
MSANHHHQJYQEOK-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Overview
3,5-dimethylcyclohexanone is a member of the class of cyclohexanones that is cyclohexanone substituted by methyl groups at positions 3 and 5.
Names & identifiers
- Preferred name
- 3,5-Dimethylcyclohexanone
- IUPAC
- 3,5-dimethylcyclohexan-1-one
- English name
- 3,5-dimethylcyclohexan-1-one
- Molecular formula
- C8H14O
- Molecular weight
- 126.2
Names & synonyms
3,5-Dimethylcyclohexanone3,5-Dimethyl cyclohexanoneNSC 21132trans-3,5-Dimethylcyclohexanone3,5-Dimethylcyclohexanone, (E)-RefChem:91601620-676-6MSANHHHQJYQEOK-KNVOCYPGSA-NMSANHHHQJYQEOK-UHFFFAOYSA-N2320-30-1Cyclohexanone, 3,5-dimethyl-3,5-dimethylcyclohexan-1-one
Show more names
rel-(3R,5R)-3,5-DimethylcyclohexanoneCyclohexanone, 3,5-dimethyl-, (3R,5R)-rel-
NSC21132MFCD000194671219804-55-3CHEBI:195509NSC-21132AKOS015917388CS-W013493D1282
Database identifiers
- CAS
2320-30-1、7214-49-5- PubChem CID
- 137544
- DTXSID
DTXSID30945879- ChEBI
CHEBI:195509- EC Number
- 620-676-6
- Nikkaji
- J150.902K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 106
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Boiling point
- 57 · 57-59 °C(Press: 6 Torr)
- Density
- 0.903 g/cm3 · 0.903 g/cm3
Safety & regulation
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2A (100%)
Chemistry & industry
Suppliers57 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
21 records
Compound notes
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