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93-55-0

93-55-0 Structure

93-55-0 Structure
IdentificationMore
[Name]

Propiophenone
[CAS]

93-55-0
[Synonyms]

1-PHENYL-1-PROPANONE
AKOS BBS-00003274
ETHYL PHENYL KETONE
FEMA 3469
PHENYL ETHYL KETONE
PROPIONYLBENZENE
PROPIOPHENONE
1-phenyl-1-propanon
1-phenyl-propan-1-one
1-phenylpropanone
1-phenylpropanone-1
1-Propanone,1-phenyl-
Ketone, ethyl phenyl
ketone,ethylphenyl
lithylphenyllwton
phenylpropone
Propionphenone
USAF ek-1235
usafek-1235
αthylenphenylketon
[EINECS(EC#)]

202-257-6
[Molecular Formula]

C9H10O
[MDL Number]

MFCD00009309
[Molecular Weight]

134.18
[MOL File]

93-55-0.mol
Chemical PropertiesBack Directory
[Appearance]

colourless to light yellow liquid
[Melting point ]

17-19 °C(lit.)
[Boiling point ]

218 °C(lit.)
[density ]

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

1 mm Hg ( 50 °C)
[FEMA ]

3469
[refractive index ]

n20/D 1.526(lit.)
[Fp ]

190 °F
[storage temp. ]

Store below +30°C.
[solubility ]

Difficult to mix.
[form ]

Liquid
[color ]

Clear colorless to light yellow
[Odor]

at 10.00 % in dipropylene glycol. hawthorn lilac floral aromatic cherry herbal
[Stability:]

Stable. Incompatible with strong oxidizing agents, strong bases.
[Odor Type]

floral
[Water Solubility ]

INSOLUBLE
[Usage]

Intermediates of Liquid Crystals
[JECFA Number]

824
[Merck ]

14,7830
[BRN ]

606215
[Dielectric constant]

15.5
[InChIKey]

KRIOVPPHQSLHCZ-UHFFFAOYSA-N
[LogP]

2.71
[CAS DataBase Reference]

93-55-0(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Propanone, 1-phenyl-(93-55-0)
[EPA Substance Registry System]

93-55-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

UG7175000
[TSCA ]

Yes
[HS Code ]

29143900
[Safety Profile]

Poison by intraperitoneal route. Moderately toxic by subcutaneous route. Mildly toxic by ingestion and skin contact. A skin and eye irritant. A flammable liquid when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
[Hazardous Substances Data]

93-55-0(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 4490 mg/kg LD50 dermal Rabbit 4490 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl acetate-->Aluminum chloride-->Benzeneacetonitrile-->Aluminium chloride hexahydrate-->Propionic acid-->Phenylacetic acid-->Propionyl chloride
[Preparation Products]

Fluoxetine-->fluorescent brightener 311-->3-BENZOYL PROPIOPHENONE-->Ethyl 3-methyl-3-phenylglycidate-->D/L-AMPHETAMINE HYDROCHLORIDE-->Bipariden-->(S)-MEPHENYTOIN-->Aclarubicin-->Pravastatin-->D-(-)-THREO-2-AMINO-1-(4-NITROPHENYL)-1,3-PROPANEDIOL-->1-Phenyl-1-propanol-->nitrilon whitening agent AD-->3-Chloropropiophenone-->1-TRIMETHYLSILYL-2-PYRROLIDINONE-->1-Phenylpropan-1-amine-->1-PHENYL-1-CYCLOPROPANOL-->BENZYLMETHYLCARBINOL-->3,4-DIMETHYL-3,4-DIPHENYLHEXANE
Questions And AnswerBack Directory
[Description]

Propiophenone belongs to the family of acetophenones, which is present in some certain cheese, coffee and coffee products, tea and roasted nuts with sweet-smelling odor. It is wisely used as an intermediate in the preparation of other organic compounds, such as synthetic aryl alkenes, like cinnamic acids. It is also a useful intermediate for pharmaceuticals production, such as ephedrine, propiophenone derivatives (cathinone and methcathinone), and especially for the preparation of nervous system drugs (anxiolytic and hypnotic drugs). Besides, due to its naturally pleasant flowery odor, propiophenone can be used as a component in some perfumes.
[References]

https://en.wikipedia.org/wiki/Propiophenone
https://pubchem.ncbi.nlm.nih.gov/compound/7148#section=Top
http://www.chemicalland21.com/industrialchem/organic/PROPIOPHENONE.htm
https://www.alfa.com/en/catalog/A15140/
Hazard InformationBack Directory
[Chemical Properties]

colourless to light yellow liquid
[Chemical Properties]

Propiophenone has a strong, flowery odor.
[Occurrence]

Reported found in coffee, roasted filberts, roasted peanuts and roasted green tea. Also reported found in Camembert cheese, black tea, roasted macadamia nut, tamarind, dried bonito, cherimoya and sapodilla fruit.
[Uses]

In perfumery; in the synthesis of ephedrine and related Compounds.
[Uses]

Intermediates of Liquid Crystals
[Uses]

Propiophenone is an aryl ketone used in the preparation of pharmaceutical and organic compounds. Propiophenone is used in perfumes as well as in the preparation of neurochemical compounds such as ephe drines.
[Definition]

ChEBI: An aromatic ketone in which the two substituents on the carbonyl C atom are phenyl and ethyl.
[Production Methods]

Propiophenone is produced by the Friedel–Crafts acylation of benzene with propionic acid chloride in the presence of aluminum chloride. It may also be produced by the reaction of benzoic acid and propionic acid using a calcium acetate– aluminum oxide catalyst.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 60, p. 2430, 1995 DOI: 10.1021/jo00113a024
Tetrahedron Letters, 30, p. 4819, 1989 DOI: 10.1016/S0040-4039(01)80517-7
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

Propiophenone(93-55-0)MS
Propiophenone(93-55-0)1HNMR
Propiophenone(93-55-0)13CNMR
Propiophenone(93-55-0)IR1
Propiophenone(93-55-0)Raman
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