ChemicalBook--->CAS DataBase List--->156-06-9

156-06-9

156-06-9 Structure

156-06-9 Structure
IdentificationMore
[Name]

3-Phenylpyruvic acid
[CAS]

156-06-9
[Synonyms]

2-KETOHYDROCINNAMIC ACID
2-OXO-3-PHENYLPROPIONIC ACID
2-OXOPHENYLPROPIONIC ACID
3-PHENYL-2-OXOPROPIONIC ACID
3-PHENYLPYRUVIC ACID
ALPHA-KETO-DL-PHENYLALANINE
BENZYLGLYOXYLIC ACID
BETA-PHENYLPYRUVIC ACID
PHENYLPYRUVIC ACID
.alpha.-oxo-Benzenepropanoicacid
2-Hydroxy-3-phenylpropenoic acid
2-Oxo-3-phenylpropanoic acid
3-Phenyl-2-oxopropanoic acid
alpha-oxo-benzenepropanoicaci
Phenylpyroracemic acid
phenylpyruvate
phenylpyruvic
phenylpyruvicacid(withdrawn:35180-e:pm25)
phenylpyruvicacid:35180-e:pm
phenylpyruvicacid35180-e:pm
[EINECS(EC#)]

205-847-1
[Molecular Formula]

C9H8O3
[MDL Number]

MFCD00002589
[Molecular Weight]

164.16
[MOL File]

156-06-9.mol
Chemical PropertiesBack Directory
[Melting point ]

150-154 °C (lit.)
[Boiling point ]

299.1±19.0 °C(Predicted)
[density ]

1.257±0.06 g/cm3(Predicted)
[FEMA ]

3892
[storage temp. ]

−20°C
[solubility ]

Soluble in DMSO
[form ]

powder to crystal
[pka]

2.61±0.54(Predicted)
[color ]

White to Light yellow
[Odor]

at 100.00 %. sweet acidic honey almond weedy phenolic green
[Odor Type]

honey
[Sensitive ]

Light & Air Sensitive & Hygroscopic
[JECFA Number]

1479
[BRN ]

2207312
[Major Application]

cleaning products
cosmetics
food and beverages
personal care
[InChI]

1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
[InChIKey]

BTNMPGBKDVTSJY-UHFFFAOYSA-N
[SMILES]

OC(=O)C(=O)Cc1ccccc1
[LogP]

0.54
[CAS DataBase Reference]

156-06-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenepropanoic acid, «alpha»-oxo-(156-06-9)
[EPA Substance Registry System]

156-06-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Skull and Crossbones (GHS06)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS02,GHS06,GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H225-H301-H315-H319-H330-H334-H335
[Precautionary statements ]

P210-P233-P240-P241-P242-P243-P260-P261-P264-P270-P271-P280-P284-P285-P301+P310-P302+P352-P303+P361+P353-P304-P304+P340-P304+P341-P305+P351+P338-P310-P312-P320-P321-P330-P332+P313-P337+P313-P340-P342+P311-P362-P370+P378-P403-P403+P233-P403+P235-P405-P501
[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
[F ]

3-8-10-23
[TSCA ]

TSCA listed
[HS Code ]

29183000
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

α-Oxobenzenepropanoic Acid is a useful reagent for organic synthesis.
[Definition]

ChEBI: A 2-oxo monocarboxylic acid that is 3-phenylpropanoic acid substituted by an oxo group at position 2. It is an intermediate metabolite in the phenylalanine pathway.
[General Description]

Phenylpyruvic acid reduces glucose-6-phosphate dehydrogenase activity without pre-incubation.
[storage]

Store at -20°C
[Purification Methods]

Recrystallise the acid from *C6H6. The phenylhydrazone has m 173o [Zeller Helv Chim Acta 26 1614 1943, Hopkins & Chisholm Can J Research [B] 24 89 1946]. The 2,4-dinitrophenylhydrazone has m 162-164o (189o, 192-194o) [Fones J Org Chem 17 1952]. [Beilstein 10 IV 2760.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-Phenylpyruvic acid(156-06-9)MS
3-Phenylpyruvic acid(156-06-9)1HNMR
3-Phenylpyruvic acid(156-06-9)IR1
3-Phenylpyruvic acid(156-06-9)IR2
3-Phenylpyruvic acid(156-06-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Phenylpyruvic acid, 98%(156-06-9)
[Sigma Aldrich]

156-06-9(sigmaaldrich)
[TCI AMERICA]

Phenylpyruvic Acid,>90.0%(GC)(T)(156-06-9)
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