4-Hydroxyphenylpyruvic acid

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Names

[ CAS No. ]:
156-39-8

[ Name ]:
4-Hydroxyphenylpyruvic acid

[Synonym ]:
MFCD00002591
EINECS 205-852-9
3-(4-hydroxyphenyl)-2-oxopropanoic acid
4-Hydroxyphenylpyruvic acid

Chemical & Physical Properties

[ Density]:
1.397 g/cm3

[ Boiling Point ]:
380.8ºC at 760 mmHg

[ Melting Point ]:
219-220 °C (dec.)(lit.)

[ Molecular Formula ]:
C9H8O4

[ Molecular Weight ]:
180.15700

[ Flash Point ]:
198.3ºC

[ Exact Mass ]:
180.04200

[ PSA ]:
74.60000

[ LogP ]:
0.58840

[ Vapour Pressure ]:
0mmHg at 25°C

[ Index of Refraction ]:
1.705

[ Storage condition ]:
2-8°C

[ Water Solubility ]:
slightly soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UZ1000000
CHEMICAL NAME :
Pyruvic acid, p-hydroxyphenyl-
CAS REGISTRY NUMBER :
156-39-8
BEILSTEIN REFERENCE NO. :
2691632
LAST UPDATED :
199803
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H8-O4
MOLECULAR WEIGHT :
180.17
WISWESSER LINE NOTATION :
QVV1R DQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
30 gm/kg/10D-C
TOXIC EFFECTS :
Biochemical - Metabolism (Intermediary) - amino acids (including renal excretion)
REFERENCE :
JONUAI Journal of Nutrition. (Subscription Dept., 9650 Rockville Pike, Bethesda, MD 20014) V.1- 1928- Volume(issue)/page/year: 95,535,1968
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
30 gm/kg/10D-C
TOXIC EFFECTS :
Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases Biochemical - Metabolism (Intermediary) - amino acids (including renal excretion)
REFERENCE :
JONUAI Journal of Nutrition. (Subscription Dept., 9650 Rockville Pike, Bethesda, MD 20014) V.1- 1928- Volume(issue)/page/year: 95,535,1968 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1600 mg/kg/8W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Kidney, Ureter, Bladder - tumors
REFERENCE :
VOONAW Voprosy Onkologii. Problems of Oncology. For English translation, see PONCAU. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-10, 1928-37; V.1- 1955- Volume(issue)/page/year: 22(6),47,1976

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
UZ1000000

[ HS Code ]:
2918990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (5Z)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
  • 2-acetamido-3-(4-acetyloxyphenyl)prop-2-enoic acid
  • L-Tyrosine
  • D-Thr-OH
  • 2-benzoylamino-3-(4-hydroxy-phenyl)-acrylic acid
  • Hippuric acid
  • 4-hydroxybenzaldehyde
  • 2-Ketoglutaric acid
  • L(-)-Tryptophan

DownStream

  • Coelenterazine
  • Imidazo[1,2-a]pyrazin-3(2H)-one,6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylene]-8-(phenylmethyl)- (9CI)
  • 4-Hydroxyphenyl ethanol
  • 4-Hydroxyphenylacetic acid
  • quinolacetic acid
  • HOMOGENTISIC ACID
  • (S)-4-hydroxymandelic acid
  • D-Thr-OH
  • Pyruvic acid
  • L-Tyrosine

Customs

[ HS Code ]: 2918990090

[ Summary ]:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Structural variation governs substrate specificity for organic anion transporter (OAT) homologs. Potential remote sensing by OAT family members.

J. Biol. Chem. 282 , 23841-53, (2007)

Organic anion transporters (OATs, SLC22) interact with a remarkably diverse array of endogenous and exogenous organic anions. However, little is known about the structural features that determine thei...

Mechanistic insights into Mg2+-independent prenylation by CloQ from classical molecular mechanics and hybrid quantum mechanics/molecular mechanics molecular dynamics simulations.

Biochemistry 53(30) , 5034-41, (2014)

Understanding the mechanism of prenyltransferases is important to the design of engineered proteins capable of synthesizing derivatives of naturally occurring therapeutic agents. CloQ is a Mg(2+)-inde...

Elucidation of common pharmacophores from analysis of targeted metabolites transported by the multispecific drug transporter—Organic anion transporter1 (Oat1)

Bioorg. Med. Chem. 19 , 3320-40, (2011)

Organic anion transporter 1 (Oat1), first identified as NKT, is a multispecific transporter responsible for the handling of drugs and toxins in the kidney and choroid plexus, but its normal physiologi...


More Articles

Related Compounds

  • 4-Hydroxyphenylpyruvic acid
  • 3,5-Diiodo-4-hydroxyphenylpyruvic Acid
  • 3,5-Dibrom-4-hydroxyphenylpyruvic acid oxim
  • 4-hydroxyphenylpyruvic acid oxime methyl ester
  • P-Hydroxyphenylpyruvic acid monosodium salt
  • 4-HYDROXYPHENYLGLYOXYLICACID