4-Oxo-4-phenylbutanoic acid | CAS No. 2051-95-8

4-Oxo-4-phenylbutanoic acid

Basic Information

CAS Number

2051-95-8

Molecular Formula

C10H10O3

Molecular Weight

178.19 g/mol

AD

Basic Physical Properties

Melting Point

114-117 °C

Boiling Point

359.7℃ at 760 mmHg

Flash Point

185.6℃

Refractive Index

1.5370 (estimate)

C1=CC=C(C=C1)C(=O)CCC(=O)O

InChI

InChI=1S/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)

InChIKey

KMQLIDDEQAJAGJ-UHFFFAOYSA-N

LogP

1.7341

Topological Polar Surface Area

54.37 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

192

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

  • 4-oxo-4-phenyl-butyric acid
  • 2051-95-8
  • beta-benzoyl-propionic acid
  • SR-01000391537-1
  • PHENYLBUTYRATE SODIUM IMPURITY A [EP IMPURITY]
  • 3-Benzoylpropionic acid
  • NSC229040
  • Propionic acid, 3-benzoyl-
  • GS-6768
  • NSC 2092
  • EN300-17961
  • Cambridge id 5118846
  • NS00026673
  • ChemDiv3_013347
  • NSC2092
  • 4-oxo-4-phenyl-butanoic acid
  • NSC-51010
  • EINECS 218-135-0
  • 3-Benzoylpropionic acid, 99%
  • BB 0218424
  • 3-Benzoylpropionic acid,
  • SR-01000391537
  • 3-BENZOYLPROPIONICACID
  • MFCD00002792
  • B0868
  • F0349-0592
  • AC-31093
  • 4-phenyl-4-oxobutyric acid
  • SY011505
  • 3-Benzoylpropanoic acid
  • AI3-03666

MDL Number

MFCD00002792

Customs Code

29183000

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