Basic information
- CAS
2047-21-4- Standard SMILES
CC(=O)c1cc(C)c(C)c(C)c1- InChIKey
GTJJJBGBQYTRFV-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 1-(3,4,5-Trimethylphenyl)ethanone
- IUPAC
- 1-(3,4,5-trimethylphenyl)ethanone
- English name
- 1-(3,4,5-triMethylphenyl)ethanone
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
1-(3,4,5-Trimethylphenyl)ethanone2047-21-4Ethanone, 1-(3,4,5-trimethylphenyl)-DTXSID50300901RefChem:223949DTXCID30252035GTJJJBGBQYTRFV-UHFFFAOYSA-NNSC1398841-(3,4,5-trimethylphenyl)ethan-1-one3,4,5-trimethylacetophenoneSCHEMBL961853,4,5-Trimethyl-acetophenon
Show more names
3',4',5'-Trimethylacetophenone
NSC-139884DS-013903
Database identifiers
- CAS
2047-21-4- PubChem CID
- 284151
- DTXSID
DTXSID50300901- Nikkaji
- J1.528.152I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 2.4 °C · 2.4°C
- Boiling point
- 272 ℃ · 272℃
- Density
- 0.955 · 0.955
- refractive index
- 1.542 · 1.5420 (estimate)
- Flash point
- 112 ℃ · 112℃
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
上海拓朴医药科技有限公司+86 (21) 5196-9732
海蔚化学86-21-51086038 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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