ChemicalBook--->CAS DataBase List--->1009-14-9

1009-14-9

1009-14-9 Structure

1009-14-9 Structure
IdentificationMore
[Name]

Valerophenone
[CAS]

1009-14-9
[Synonyms]

1-PHENYL-1-PENTANONE
BUTYL PHENYL KETONE
N-BUTYL PHENYL KETONE
PENTANOPHENONE
VALEROPHENONE
1-phenyl-1-pentanon
1-phenyl-pentan-1-one
Butylphenylkcton
VALERONITRILE 99+%
1-Pentanone, 1-phenyl-
VALEROPHENONE/N-BUTYL PHENYL KETONE
VALEROPHENONE pure
Phenyl butyl ketone
Pentanoylbenzene
[EINECS(EC#)]

213-767-3
[Molecular Formula]

C11H14O
[MDL Number]

MFCD00009480
[Molecular Weight]

162.23
[MOL File]

1009-14-9.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-9 °C
[Boiling point ]

244-245 °C (lit.)
[density ]

0.975 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.5143(lit.)
[Fp ]

217 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Sparingly), Ethyl Acetate (Slightly)
[form ]

Liquid
[color ]

Clear light yellow to yellow-green
[Specific Gravity]

0.98
[Odor]

at 100.00 %. balsam valerian
[Stability:]

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

balsamic
[Water Solubility ]

Insoluble in water.
[Usage]

Intermediates of Liquid Crystals
[BRN ]

1907717
[InChI]

1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
[InChIKey]

XKGLSKVNOSHTAD-UHFFFAOYSA-N
[SMILES]

CCCCC(=O)c1ccccc1
[LogP]

2.79
[CAS DataBase Reference]

1009-14-9(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Pentanone, 1-phenyl-(1009-14-9)
[EPA Substance Registry System]

1009-14-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

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

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[TSCA ]

Yes
[REACH Registrations]

Active
[HS Code ]

29143990
[Storage Class]

10 - Combustible liquids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Phenyl-1-pentanone(1009-14-9).msds
Questions And AnswerBack Directory
[Toxicity]

Valerophenone has acute toxic effects: inflammation of the eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering.
Hazard InformationBack Directory
[Chemical Properties]

colourless liquid
[Uses]

Intermediates of Liquid Crystals
[Uses]

Valerophenone is an aromatic ketone that is often used as a tool in the study of various photochemical processes. Valerophenone is also an inhibitor of the enzyme carbonyl reductase.
[Application]

Valerophenone is a prochiral ketone which can undergo Norrish Type II reaction and hence can be used as a UV actinometer in photochemical experiments.
[Definition]

ChEBI: An aromatic ketone that consists of benzene substituted by a pentanoyl group.
[Reactions]

Being prochiral, valerophenone undergoes enantioselective hydrogenation to the corresponding alcohol.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 42, p. 1194, 1977 DOI: 10.1021/jo00427a020
Tetrahedron Letters, 30, p. 1773, 1989 DOI: 10.1016/S0040-4039(00)99576-5
[Synthesis]

Valerophenone is prepared from benzene and valeryl chloride by friedel-crafts reaction or from methyl benzoate by the Grignard reaction.
[Properties and Applications]

1-Phenyl-1-pentanone, also known as butyl phenyl ketone or pentanophenone, belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 1-Phenyl-1-pentanone is a balsam and valerian tasting compound. 1-Phenyl-1-pentanone has been detected, but not quantified in, a few different foods, such as celery stalks (Apium graveolens var. dulce), green vegetables, and wild celeries (Apium graveolens). This could make 1-phenyl-1-pentanone a potential biomarker for the consumption of these foods.     
Spectrum DetailBack Directory
[Spectrum Detail]

Valerophenone(1009-14-9)MS
Valerophenone(1009-14-9)1HNMR
Valerophenone(1009-14-9)13CNMR
Valerophenone(1009-14-9)IR1
Valerophenone(1009-14-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Valerophenone, 98%(1009-14-9)
[Alfa Aesar]

Valerophenone, 99%(1009-14-9)
[Sigma Aldrich]

1009-14-9(sigmaaldrich)
[TCI AMERICA]

Valerophenone,>98.0%(GC)(1009-14-9)
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