Basic information
- CAS
2142-65-6- Standard SMILES
CC(=O)c1ccccc1C(C)C- InChIKey
YKILJGWOUPELQS-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 1-(2-(Propan-2-yl)phenyl)ethan-1-one
- IUPAC
- 1-(2-propan-2-ylphenyl)ethanone
- English name
- Ethanone, 1-[2-(1-methylethyl)phenyl]- (9CI)
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
1-[2-(propan-2-yl)phenyl]ethan-1-oneacetocumene1-[2-(1-Methylethyl)phenyl]ethanone1-(2-(1-Methylethyl)phenyl)ethanone1-(2-(Propan-2-yl)phenyl)ethan-1-oneRefChem:421342893-600-42142-65-62-Isopropylacetophenone1-(2-isopropylphenyl)ethanone1-(2-propan-2-ylphenyl)ethanone2'-iso-Propylacetophenone
Show more names
O-ISOPROPYLACETOPHENONE1-(2-isopropylphenyl)ethanone - [AC80297]Ethanone, 1-[2-(1-methylethyl)phenyl]- (9CI)
MFCD11553472ZU2C4H6F7KAcetophenone, 2'-isopropyl-Ethanone, 1-[2-(1-methylethyl)phenyl]-NSC-143777Ethanone, 1-[(1-methylethyl)phenyl]-o-Isopropylphenyl methyl ketoneNSC143777
Database identifiers
- CAS
2142-65-6- PubChem CID
- 16504
- DTXSID
DTXSID80175689- UNII
- ZU2C4H6F7K
- EC Number
- 893-600-4
- Nikkaji
- J1.559.020C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- FDA UNII
- 2 C4H6F7K · ZU2C4H6F7K
- 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
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [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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