Basic information
- CAS
72846-62-9- Standard SMILES
CC(C)C(=O)c1ccc(C(C)C)cc1- InChIKey
KJOFMRLNOMBWIM-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.13576519
Names & identifiers
- Preferred name
- 2-(4-Isobutyrylphenyl)propane
- IUPAC
- 2-methyl-1-(4-propan-2-ylphenyl)propan-1-one
- English name
- 2-(4-Isobutyrylphenyl)propane
- Molecular formula
- C13H18O
- Molecular weight
- 190.28
Names & synonyms
72846-62-92-(4-ISOBUTYRYLPHENYL)PROPANE1-(4-isopropylphenyl)-2-methylpropan-1-one2-methyl-1-(4-propan-2-ylphenyl)propan-1-one4'-iso-Propyl-2-methylpropiophenoneMFCD010958361-(4-isopropylphenyl)-2-methyl-1-propanone2-methyl-1-[4-(propan-2-yl)phenyl]propan-1-one2-methyl-1-[4-(methylethyl)phenyl]propan-1-one4-IsopropylisobutyrophenonSCHEMBL195312DTXSID80401233
Show more names
IBUPROFEN IMP W2-METHYL-1-[4-(1-METHYLETHYL)PHENYL]-1-PROPANONE1-Propanone, 2-methyl-1-[4-(1-methylethyl)phenyl]-2-Methyl-1-[4-(1-methylethyl)phenyl]-1-propanoneQ: What is 2-Methyl-1-[4-(1-methylethyl)phenyl]-1-propanone Q: What is the CAS Number of 2-Methyl-1-[4-(1-methylethyl)phenyl]-1-propanone
KJOFMRLNOMBWIM-UHFFFAOYSA-NSBB056542AKOS009164686DA-20047CS-0357853ST509735481-(4-isopropylphenyl)-2-methyl-propan-1-oneF395182
Database identifiers
- CAS
72846-62-9- PubChem CID
- 4251244
- DTXSID
DTXSID80401233- EC Number
- 641-450-3
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.
Chemistry & industry
Suppliers10 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
GL Biochem (Shanghai) Ltd.+86-021-61263370 +86-18901917034
吉尔多肽生物制药（大连市）有限公司021-61263455 13167021076 · [email protected]
无锡鸣鹭医药科技有限公司0510-88726693 · [email protected]
康化（上海）新药研发有限公司021-61263370 18516560301 · [email protected]
上海吉奉生物科技有限公司021-61263377 15023907684 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
三本生物技术（苏州）有限公司0512-85667806 18551283436;400-965-3330 · [email protected]
Related reactions
8 records
Compound notes
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