ChemicalBook--->CAS DataBase List--->2550-26-7

2550-26-7

2550-26-7 Structure

2550-26-7 Structure
IdentificationMore
[Name]

Benzylacetone
[CAS]

2550-26-7
[Synonyms]

4-PHENYL-2-BUTANONE
4-Phenylbutan-2-one
BENZYLACETONE
METHYL 2-PHENYLETHYL KETONE
METHYL PHENETHYL KETONE
1-Phenyl-3-butanone
2-Butanone, 4-phenyl-
4-Phenyl-2-butanoine
4-phenyl-2-butanon
4-phenyl-2-butanone (benzyl acetone)
4-phenylbutanone
Benzylaceton
beta-Phenylethyl methyl ketone
beta-phenylethylmethylketone
Methyl phenylethyl ketone
methylphenylethylketone
Phenethyl methyl ketone
phenethylmethylketone
Phenyl-2-Butanone
Benzylacetone,98%
[EINECS(EC#)]

219-847-4
[Molecular Formula]

C10H12O
[MDL Number]

MFCD00008790
[Molecular Weight]

148.2
[MOL File]

2550-26-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear colourless to pale yellowish liquid
[Melting point ]

-13°C
[Boiling point ]

235 °C(lit.)
[density ]

0.989 g/mL at 25 °C(lit.)
[vapor pressure ]

0.0386 hPa (20 °C)
[refractive index ]

n20/D 1.512(lit.)
[Fp ]

209 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform, Methanol
[form ]

Liquid
[color ]

Clear colorless to pale yellow
[Odor]

at 100.00 %. floral balsam
[Odor Type]

floral
[Water Solubility ]

PRACTICALLY INSOLUBLE
[BRN ]

1907123
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
[InChIKey]

AKGGYBADQZYZPD-UHFFFAOYSA-N
[SMILES]

CC(=O)CCc1ccccc1
[LogP]

2 at 25℃
[CAS DataBase Reference]

2550-26-7(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Phenyl-2-butanone(2550-26-7)
[EPA Substance Registry System]

2550-26-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H303
[Precautionary statements ]

P280a-P305+P351+P338-P321-P332+P313-P337+P313-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R38:Irritating to the skin.
[Safety Statements ]

S37:Wear suitable gloves .
[WGK Germany ]

1
[RTECS ]

EL9600000
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29143900
[Storage Class]

10 - Combustible liquids
[Toxicity]

LD50 orally in Rabbit: 3200 mg/kg
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Phenyl-2-butanone(2550-26-7).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless to pale yellowish liquid
[Chemical Properties]

has been identified as a volatile component of cocoa. Benzylacetone is a sweet-floral-smelling liquid, which can be prepared by selective hydrogenation of benzylidene acetone (from benzaldehyde and acetone). It is used in soap perfumes.
[Uses]

4-Phenyl-2-butanone is an attractant compound found in the flower Nicotiana attenuata. It is also used in the preparation of 4-oxocyclohexanecarbaldehyde derivatives.
[Preparation]

Benzyl acetone is prepared by Claisen condensation of Benzaldehyde and Acetone, followed by hydrogenation of the formed Benzylidene acetone.
[Synthesis Reference(s)]

Chemical and Pharmaceutical Bulletin, 38, p. 2097, 1990 DOI: 10.1248/cpb.38.2097
Tetrahedron Letters, 25, p. 5467, 1984 DOI: 10.1016/S0040-4039(01)81600-2
[General Description]

4-Phenyl-2-butanone, a volatile aromatic ketone, is a fragrance compound present as a ubiquitous attractant in flowers.
[Safety Profile]

Moderately toxic by ingestion and intraperitoneal routes. An eye and severe skin irritant. Flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
[Solubility in organics]

soluble in alcohol and oils.
Spectrum DetailBack Directory
[Spectrum Detail]

Benzylacetone(2550-26-7)MS
Benzylacetone(2550-26-7)1HNMR
Benzylacetone(2550-26-7)13CNMR
Benzylacetone(2550-26-7)IR1
Benzylacetone(2550-26-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Benzylacetone, 99+%(2550-26-7)
[Alfa Aesar]

4-Phenyl-2-butanone, 98%(2550-26-7)
[Sigma Aldrich]

2550-26-7(sigmaaldrich)
[TCI AMERICA]

4-Phenyl-2-butanone,>95.0%(GC)(2550-26-7)
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