ChemicalBook--->CAS DataBase List--->495-40-9

495-40-9

495-40-9 Structure

495-40-9 Structure
IdentificationMore
[Name]

Butyrophenone
[CAS]

495-40-9
[Synonyms]

1-PHENYL-1-BUTANONE
BUTYROPHENONE
N-BUTANOPHENONE
N-BUTYROPHENONE
N-PROPYL PHENYL KETONE
PHENYL N-PROPYL KETONE
PHENYL PROPYL KETONE
1-Butanone,1-phenyl-
1-phenyl-1-butanon
1-phenyl-butan-1-one
1-Phenylbutan-1-one
Butyrylbenzene
Propyl phenyl ketone
BUTYROPHENONE, 99+%
N-BUTYROPHENONE 99%
n-butyrophenone, phenyl-n-propyl ketone
Butanophenone
[EINECS(EC#)]

207-799-7
[Molecular Formula]

C10H12O
[MDL Number]

MFCD00009397
[Molecular Weight]

148.2
[MOL File]

495-40-9.mol
Chemical PropertiesBack Directory
[Appearance]

colourless to yellow liquid
[Melting point ]

11-13 °C(lit.)
[Boiling point ]

228-230 °C(lit.)
[density ]

1.021 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.520(lit.)
[Fp ]

192 °F
[storage temp. ]

Store below +30°C.
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Liquid
[color ]

Clear colorless to yellow
[Specific Gravity]

0.988
[Odor]

at 100.00 %. camphor cherry walnut hazelnut
[Stability:]

Stable. Combustible. Incompatible with strong oxidizing agents.
[biological source]

synthetic
[Odor Type]

camphoreous
[Water Solubility ]

Insoluble in water.
[Usage]

Intermediates of Liquid Crystals
[BRN ]

508305
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
[InChIKey]

FFSAXUULYPJSKH-UHFFFAOYSA-N
[SMILES]

CCCC(=O)c1ccccc1
[LogP]

2.770
[CAS DataBase Reference]

495-40-9(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Butanone, 1-phenyl-(495-40-9)
[EPA Substance Registry System]

495-40-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H317-H318-H227
[Precautionary statements ]

P210-P370+P378-P403+P235-P501-P280-P305+P351+P338-P305+P351+P338+P310-P333+P313-P210e-P280a-P370+P378a-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R41:Risk of serious damage to eyes.
R43:May cause sensitization by skin contact.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29143900
[Storage Class]

10 - Combustible liquids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Butyryl chloride
[Preparation Products]

Ethacrynic acid-->Haloperidol-->γ-Hydroxybutyrophenone-->2-bromobutyrophenone-->2-Phenyl-2-pentanol-->2-Benzoylbutanal-->5-Ethyl-4-phenyl-1,3-thiazol-2-amine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

n-Butyrophenone(495-40-9).msds
Questions And AnswerBack Directory
[Description]

Butyrophenone is a chemical compound with the formula C10H12O. Butyrophenone has been used to study the relationship between the electrolyte counter-ion concentration and the critical micelle concentration for several surfactants. It has been used to generate PhCO+ ions by 70 eV electron ionization. Some of its derivatives (called commonly butyrophenones) are used to treat various psychiatric disorders such as schizophrenia, as well as acting as antiemetics. They can interfere with neurotransmitter functions, usually blocking dopamine receptors, and induce behavioral, endocrine, motor-kinetic effects. Examples of butyrophenones include: Haloperidol, the most widely used classical antipsychotic drug in this class; Benperidol, the most potent commonly used antipsychotic ( 200 times more potent than chlorpromazine).
[References]

1. https://en.wikipedia.org/wiki/Butyrophenone
2. http://www.rightdiagnosis.com/medical/butyrophenone.htm
3. http://www.sigmaaldrich.com/catalog/product/aldrich/124338?lang=en&region=CA
Hazard InformationBack Directory
[Chemical Properties]

colourless to yellow liquid
[Uses]

Intermediates of Liquid Crystals
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 61, p. 376, 1996 DOI: 10.1021/JO951500R
Tetrahedron Letters, 30, p. 6357, 1989 DOI: 10.1016/S0040-4039(01)93893-6
[Biochem/physiol Actions]

Butyrophenones constitutes neuroleptic drugs and interacts with the opiate receptor by inhibiting the stereospecific binding of 3H-naloxone.
Spectrum DetailBack Directory
[Spectrum Detail]

Butyrophenone(495-40-9)MS
Butyrophenone(495-40-9)1HNMR
Butyrophenone(495-40-9)13CNMR
Butyrophenone(495-40-9)IR1
Butyrophenone(495-40-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

n-Butyrophenone, 99%(495-40-9)
[Alfa Aesar]

n-Butyrophenone, 99%(495-40-9)
[Sigma Aldrich]

495-40-9(sigmaaldrich)
[TCI AMERICA]

Butyrophenone,>99.0%(GC)(495-40-9)
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