2-Acetoxybenzoic acid | CAS No. 50-78-2

2-Acetoxybenzoic acid

Basic Information

CAS Number

50-78-2

Molecular Formula

C9H8O4

Molecular Weight

180.16 g/mol

AD

Basic Physical Properties

Melting Point

134-136?°C

Boiling Point

140°C

Water Solubility

3.3 g/L (20 oC)

Flash Point

250 °C

Solubility

H2O: 10 mg/mL at 37 °C

Refractive Index

1.4500 (estimate)

Vapor Pressure

0.000124mmHg at 25°C

CC(=O)Oc1ccccc1C(=O)O

InChI

InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)

InChIKey

BSYNRYMUTXBXSQ-UHFFFAOYSA-N

LogP

1.3101

pKa

3.5(at 25℃)

Topological Polar Surface Area

63.60000000000001 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

212

Safety Information

View Safety Information

GHS Hazard Pictograms

H301H301
H315H315
H319H319
H335H335

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral
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

Hazard Class

Class 6.1 Class 6.1

Storage Conditions

2-8℃

Toxicity

LD50 orally in mice, rats: 1.1, 1.5 g/kg (Hart)

Synonyms & References

English

  • Acetylsalicylic acid
  • o-Acetylsalicylic acid 2-Acetoxybenzoic acid
  • 2-Acetoxybenzoic acid~Aspirin
  • aspirin usp
  • O-Acetylsalicylic acid
  • Aspirin
  • Acetoxybenzoic acid
  • Metronidazolum
  • 2-(Acetyloxy)benzoic acid
  • ACETYLSALICYLIC ACID(RG) PrintBack
  • Aspirin (Acetyl Salicylic Acid)
  • 2-Acetoxybenzoic acid
  • 2-Acetoxybenzoic acid,O-Acetylsalicyl
  • 2-Acetoxybenzoic acid,O-Acetylsalicylic acid,ASA
  • Adiro
  • ASA
  • Aspec
  • Aspr
  • Aspro
  • Bayer
  • ECM
  • Novid
  • ronal
  • Xaxa
  • 阿司匹林
  • Acetylsalicylate
  • o-Acetoxybenzoic acid
  • Polopiryna
  • Acylpyrin
  • Ecotrin
  • Easprin

MDL Number

MFCD00002430

Customs Code

3004909090

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