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%

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