Basic information
- CAS
823-55-2- Standard SMILES
CC1CCC(=O)C(C)C1- InChIKey
SWILKIQCGDTBQV-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Names & identifiers
- Preferred name
- 2,4-Dimethylcyclohexanone
- IUPAC
- 2,4-dimethylcyclohexan-1-one
- English name
- 2,4-dimethylcyclohexan-1-one
- Molecular formula
- C8H14O
- Molecular weight
- 126.2
Names & synonyms
2,4-Dimethylcyclohexan-1-one2,4-DimethylcyclohexanoneCaswell No. 362CCyclohexanone, 2,4-dimethyl-UNII-SX8B1K846BSX8B1K846BEINECS 212-516-5EPA Pesticide Chemical Code 374600J195.077KDTXSID9041364RefChem:82532DTXCID7021364
Show more names
823-55-2Cyclohexanone,2,4-dimethyl-2,4-dimethyl-cyclohexanoneSCHEMBL2343477SWILKIQCGDTBQV-UHFFFAOYSA-NAAA82355MFCD11502468AKOS011021306
Database identifiers
- CAS
823-55-2- PubChem CID
- 102497
- DTXSID
DTXSID9041364- UNII
- SX8B1K846B
- EC Number
- 212-516-5
- Nikkaji
- J195.077K
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
- 118
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 176.5 °C · 176.5 °C
- Density
- 0.921 g/cm3 · 0.921 g/cm3(Temp: 0 °C)
- FDA UNII
- 8 B1K846B · SX8B1K846B
- EPA Substance Registry System
- 2 · 2,4-Dimethylcyclohexanone (823-55-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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