4'-Methylbutyrophenone
Basic information
- CAS
4160-52-5- Standard SMILES
CCCC(=O)c1ccc(C)cc1- InChIKey
CIYAESDXUTVTAL-UHFFFAOYSA-N- Molecular formula
- C11H14O
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.10446507
Names & identifiers
- Preferred name
- 4'-Methylbutyrophenone
- IUPAC
- 1-(4-methylphenyl)butan-1-one
- English name
- 4-Methylbutyrophenone
- Molecular formula
- C11H14O
- Molecular weight
- 162.23
Names & synonyms
1-(p-Tolyl)butan-1-one4'-Methylbutyrophenone1-(4-methylphenyl)butan-1-one4-Methylbutyrophenone1-Butanone, 1-(4-methylphenyl)-p-Methylbutyrophenone1-(4-methylphenyl)-1-butanoneButyrophenone, 4'-methyl-p-Methyl butyrophenone5ANP7X3QJ7EINECS 223-996-0NSC-163487
Show more names
4-Butyryltoluene1-p-tolylbutan-1-onep-Tolyl Propyl Ketone4'-Methylbutyrophenon4-Methylbutyrophenone,97%
1-(4-Tolyl)-1-butanoneDTXSID10194424NSC 163487RefChem:96039DTXCID20116915223-996-0CIYAESDXUTVTAL-UHFFFAOYSA-N4160-52-5
Database identifiers
- CAS
4160-52-5- PubChem CID
- 77811
- DTXSID
DTXSID10194424- UNII
- 5ANP7X3QJ7
- EC Number
- 223-996-0
- Nikkaji
- J224.959F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- 12 ℃ · 12℃
- Boiling point
- 252 ℃ · 252℃ (739 Torr)
- Density
- 0.952 · 0.952±0.06 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.5232 · 1.5232 (589.3 nm 20℃)
- Flash point
- 110.1 · 110.1±8.8℃
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly)
- form
- Oil
- color
- Clear Colourless
- InChI
- InChI=1S/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
- InChIKey
- CIYAESDXUTVTAL-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(C)C=C1)(=O)CCC
- FDA UNII
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications 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
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4'-Methylbutyrophenone is an aryl alkyl ketone used in the quenching of chemically excited acetone phosphorescence.
Uses4''-Methylbutyrophenone is an aryl alkyl ketone used in the quenching of chemically excited acetone phosphorescence.
Related reactions
4 records
Compound notes
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