Protocatechuic Acid | CAS No. 99-50-3

Protocatechuic Acid

Basic Information

CAS Number

99-50-3

Molecular Formula

C7H6O4

Molecular Weight

154.12 g/mol

AD

Basic Physical Properties

Melting Point

197-200 °C (dec.)

Boiling Point

237.46°C (rough estimate)

Density

1.54

Water Solubility

Soluble in hot alcohol and ether. Slightly soluble in water.

Flash Point

410.7 oC at 760 mmHg

Solubility

20g/l

Refractive Index

1.6400 (estimate)

OC(=O)c1ccc(O)c(O)c1

InChI

InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)

InChIKey

YQUVCSBJEUQKSH-UHFFFAOYSA-N

LogP

0.7959999999999998

pKa

4.48(at 25℃)

Topological Polar Surface Area

77.76 Ų

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

157

Safety Information

View Safety Information

GHS Hazard Pictograms

H315H315
H319H319
H335H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

  • 3,4-Dihydroxybenzoic acid
  • Protocatechuic acid
  • CATECHOL-4-CARBOXYLIC ACID
  • 3,4-DIHYDROXYBENZOIC ACID N-HYDRATE
  • 3,4-DIHYDROBENZOIC ACID
  • AKOS 220-70
  • RARECHEM AL BO 0347
  • PROTOCATECHUIC ACID N-HYDRATE
  • PROTOCATECHUIC ACID(P) PrintBack
  • PROTOCATECHUIC ACID(RG)
  • 2,4-Dihydroxybenzoic acid
  • 3,4-dihydroxybenzoate
  • 3,4-dihydroxy-benzoic acid
  • 4,5-Dihydroxybenzoic acid
  • 4-Carboxy-1,2-dihydroxybenzene
  • Benzoic acid,3,4-dihydroxy
  • protocatechuate
  • Protocatehuic acid
  • protochatechuic acid
  • Pyrocatechol-4-carboxylic Acid
  • 原儿茶酸
  • [ "" ]
  • Benzoic acid, 3,4-dihydroxy-
  • 3,4-Dihydroxybenzoicacid
  • 3, 4-Dihydroxybenzoic acid
  • MLS000737807
  • 36R5QJ8L4B
  • YQUVCSBJEUQKSH-UHFFFAOYSA-N
  • 1ykp
  • 3,4-dihydroxybenzoic acid (protocatechuic acid)
  • Protocatechuic acid polymer

MDL Number

MFCD00002509

Customs Code

29182990

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