Basic information
- CAS
1202-08-0- Standard SMILES
CC(=O)c1cc(C(C)C)ccc1C- InChIKey
LVNVQCXLRILPCM-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- Ethanone, 1-(2-methyl-5-(1-methylethyl)phenyl)-
- IUPAC
- 1-(2-methyl-5-propan-2-ylphenyl)ethanone
- English name
- 5'-isopropyl-2'-methylacetophenone
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
Ethanone, 1-(2-methyl-5-(1-methylethyl)phenyl)-Ethanone, 1-[2-methyl-5-(1-methylethyl)phenyl]-RefChem:592454Ethanone, 1-2-methyl-5-(1-methylethyl)phenyl-1202-08-05'-Isopropyl-2'-methylacetophenone1-(2-methyl-5-propan-2-ylphenyl)ethanone1-[2-methyl-5-(propan-2-yl)phenyl]ethan-1-one3YKN12PCEQ5/'-Isopropyl-2/'-methylacetophenoneNSC-9414UNII-3YKN12PCEQ
Show more names
2-Aceto-p-cymeneAcetophenone, 5-isopropyl-2-Methyl-1-[2-Methyl-5-(1-methylethyl)phenyl]ethanone
1-(5-Isopropyl-2-methylphenyl)ethan-1-one5-Isopropyl-2-methylacetophenoneNSC9414CarvacrylmethylketonEINECS 214-862-2AI3-17974SCHEMBL3210024DTXSID1074468
Database identifiers
- CAS
1202-08-0- PubChem CID
- 70993
- DTXSID
DTXSID1074468- UNII
- 3YKN12PCEQ
- EC Number
- 214-862-2
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 249.5 °C · 249.5°C (estimate)
- Density
- 0.956 · 0.9560
- refractive index
- 1.5181 · 1.5181 (estimate)
- FDA UNII
- 3 YKN12PCEQ · 3YKN12PCEQ
- EPA Substance Registry System
- 5 · 5'-Isopropyl-2'-methylacetophenone (1202-08-0)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-[2-methyl-5-(1-methylethyl)phenyl]-
Ethanone, 1-2-methyl-5-(1-methylethyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Suppliers3 total
Nanjing jinheyou Trading Co., Ltd.15705188088 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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