protocatechuic acid

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Names

[ CAS No. ]:
99-50-3

[ Name ]:
protocatechuic acid

[Synonym ]:
MFCD00002509
3,4-dihydroxy-benzoic acid
4,5-Dihydroxybenzoic acid
3,4-Dihydroxybenzoic acid
4-Carboxy-1,2-dihydroxybenzene
Protocatehuic acid
protocatechuate
EINECS 202-760-0
Benzoic acid, 3,4-dihydroxy-
protochatechuic acid
protocatechuic acid
3,4-dihydroxybenzoate
Benzoic acid,3,4-dihydroxy

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
410.7±35.0 °C at 760 mmHg

[ Melting Point ]:
197-200 °C (dec.)(lit.)

[ Molecular Formula ]:
C7H6O4

[ Molecular Weight ]:
154.120

[ Flash Point ]:
216.3±22.4 °C

[ Exact Mass ]:
154.026611

[ PSA ]:
77.76000

[ LogP ]:
1.16

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.671

[ Stability ]:
Stable. Incompatible with strong oxidizing agents, strong bases.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UL0560000
CHEMICAL NAME :
Protocatechuic acid
CAS REGISTRY NUMBER :
99-50-3
BEILSTEIN REFERENCE NO. :
1448841
LAST UPDATED :
199710
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C7-H6-O4
MOLECULAR WEIGHT :
154.13
WISWESSER LINE NOTATION :
QVR CQ DQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
3 gm/L
REFERENCE :
CALEDQ Cancer Letters (Shannon, Ireland). (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1975- Volume(issue)/page/year: 14,251,1981

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
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-S36-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
UL0560000

[ HS Code ]:
2918290000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3,4-Dihydroxymandelic acid
  • Quercetin
  • Vanillin
  • Heliotropic acid
  • 3,4-Dihydroxybenzaldehyde
  • Ethyl 3,4-dihydroxybenzoate
  • monomethylhydrazine
  • D-(-)-Quinic acid
  • 2,4,6-Cycloheptatrien-1-one,2-hydroxy-5-nitroso-
  • 4-(phenylimino-methyl)-pyrocatechol

DownStream

  • 3-carboxy-cis,cis-muconic acid
  • METHYL 2,4-DIMETHOXYBENZOATE
  • Methyl 2-methoxybenzoate
  • Methyl 3-methoxybenzoate
  • Methyl anisate
  • Methyl 3,4-dimethoxybenzoate
  • Trimethylgallic acid methyl ester
  • Benzoic acid,2,3-dimethoxy-, methyl ester
  • methyl 2,5-dimethoxybenzoate
  • Methyl 3,5-dimethoxybenzoate

Customs

[ HS Code ]: 2918290000

[ Summary ]:
HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

Articles

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Pharm. Biol. 53(6) , 800-6, (2015)

The number of multidrug resistant (MDR) microorganisms is increasing and the antimicrobial resistance expressed by these pathogens is generating a rising global health crisis. In fact, there are only ...

Antioxidant activity of protocatechuates evaluated by DPPH, ORAC, and CAT methods.

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J. Sci. Food Agric. 95 , 2132-44, (2015)

The objective of this work was to study the effect of two Saccharomyces cerevisiae yeast strains with different capabilities of polysaccharide liberation during alcoholic fermentation in addition to s...


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Related Compounds

  • protocatechuic acid
  • 5-Bromoprotocatechuic acid
  • protocatechuic acid chloride
  • 4-methoxy-protocatechuic acid
  • Protocatechuic acid ethyl ester
  • Protocatechuic acid methyl ester
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 2-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)acetonitrile
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • [4-(methylamino)cyclohexyl] methanesulfonate
  • tert-Butyl-DL-alanine