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495-41-0

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495-41-0 Structure

495-41-0 Structure
IdentificationBack Directory
[Name]

1-PHENYL-2-BUTEN-1-ONE
[CAS]

495-41-0
[Synonyms]

Crotonophenone
2-Butenoylbenzene
PHENYL PROPENYL KETONE
1-PHENYL-2-BUTEN-1-ONE
1-PHENYL-BUT-2-EN-1-ONE
1-Propenylphenyl ketone
Phenylpropenylketone80+%
PHENYL 1-PROPENYL KETONE
[EINECS(EC#)]

207-800-0
[Molecular Formula]

C10H10O
[MDL Number]

MFCD00059386
[MOL File]

495-41-0.mol
[Molecular Weight]

146.19
Chemical PropertiesBack Directory
[Melting point ]

20.5°C
[Boiling point ]

122 °C / 12mmHg
[density ]

1,03 g/cm3
[refractive index ]

1.5600-1.5640
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

clear liquid
[color ]

White to Yellow to Green
[InChI]

InChI=1S/C10H10O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-8H,1H3
[InChIKey]

FUJZJBCWPIOHHN-UHFFFAOYSA-N
[SMILES]

C(C1=CC=CC=C1)(=O)C=CC
[CAS DataBase Reference]

495-41-0
[EPA Substance Registry System]

Crotonophenone (495-41-0)
Safety DataBack Directory
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[TSCA ]

TSCA listed
[HS Code ]

2914390090
Hazard InformationBack Directory
[Uses]

1-Phenyl-2-buten-1-one is used in the preparation of chalcones derivatives and analogs and for the testing of their antimicrobial activities.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 97, p. 5434, 1975 DOI: 10.1021/ja00852a019
Tetrahedron Letters, 24, p. 5635, 1983 DOI: 10.1016/S0040-4039(00)94160-1
Spectrum DetailBack Directory
[Spectrum Detail]

1-PHENYL-2-BUTEN-1-ONE(495-41-0)MS
1-PHENYL-2-BUTEN-1-ONE(495-41-0)1HNMR
1-PHENYL-2-BUTEN-1-ONE(495-41-0)13CNMR
1-PHENYL-2-BUTEN-1-ONE(495-41-0)IR1
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