Basic information
- CAS
2041-37-4- Standard SMILES
Cc1ccccc1C(=O)C(C)(C)C- InChIKey
AWNJETOROKEWCH-UHFFFAOYSA-N- Molecular formula
- C12H16O
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.12011513
Names & identifiers
- Preferred name
- 2,2-Dimethyl-1-(2-methylphenyl)propan-1-one
- IUPAC
- 2,2-dimethyl-1-(2-methylphenyl)propan-1-one
- English name
- 2',2,2-Trimethylpropiophenone
- Molecular formula
- C12H16O
- Molecular weight
- 176.25
Names & synonyms
2,2-dimethyl-1-(2-methylphenyl)propan-1-oneDTXSID80408787RefChem:1059108DTXCID303596392',2,2-TRIMETHYLPROPIOPHENONE2041-37-4MFCD000323212,2-dimethyl-1-(2-methylphenyl)-1-propanone1-Propanone, 2,2-dimethyl-1-(2-methylphenyl)-t-butyl methylphenyl ketoneSCHEMBL7500715SCHEMBL7949878
Show more names
2,2,2'-TRIMETHYLPROPIOPHENONE
CAA04137AKOS0100149932,2-dimethyl-1-(o-tolyl)propan-1-oneAS-59755CS-0152979EN300-99146N12680F203964
Database identifiers
- CAS
2041-37-4- PubChem CID
- 5148232
- DTXSID
DTXSID80408787- EC Number
- 668-494-6
- Nikkaji
- J1.122.365F
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- 188
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H335-H315
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H302-H335-H315
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers9 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [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
Loading…