Methyl 3,4,5-trihydroxybenzoate | CAS No. 99-24-1

Methyl 3,4,5-trihydroxybenzoate

Basic Information

CAS Number

99-24-1

Molecular Formula

C8H8O5

Molecular Weight

184.15 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

199.0 to 205.0 deg-C

Boiling Point

450.1°C at 760 mmHg

Density

1.3840 (rough estimate)

Solubility

ethanol: 50 mg/mL, clear

Refractive Index

1.5690 (estimate)

COC(=O)C1=CC(=C(C(=C1)O)O)O

InChI

InChI=1S/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H3

InChIKey

FBSFWRHWHYMIOG-UHFFFAOYSA-N

LogP

0.5899999999999996

Topological Polar Surface Area

86.99000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

181

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302
H315H315
H317H317
H319H319
H335H335

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H317 May cause an allergic skin reaction
Sensitization, Skin
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

  • HMS3346G16
  • CS-0018330
  • AI3-00861
  • CHEBI:145828
  • s3790
  • NSC 363001
  • Gallic acid-methyl ester
  • 4-10-00-01998 (Beilstein Handbook Reference)
  • Methyl 3,4,5-trihydroxybenzoate
  • A845986
  • MFCD00002194
  • CCRIS 5567
  • DTXSID3059189
  • Methyl gallate;
  • InChI=1/C8H8O5/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,9-11H,1H
  • 3,4,5-Trihydroxy-benzoic acid methyl ester
  • AC-34481
  • NSC-363001
  • BDBM50187133
  • 3,4,5-Trihydroxybenzoic acid methyl ester
  • 623D3XG80C
  • NS00040545
  • BRN 2113180
  • HMS2210A23
  • FT-0626596
  • AC-11364
  • Gallincin;NSC 363001;Methyl-3,4,5-trihydroxybenzoate
  • Methylgallate
  • G0017
  • GALLIC ACID METHYL ESTER [MI]
  • methyl galloate

MDL Number

MFCD00002194

Customs Code

2918290000

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