ChemicalBook--->CAS DataBase List--->38861-88-0

38861-88-0

38861-88-0 Structure

38861-88-0 Structure
IdentificationMore
[Name]

4-ISOBUTYLBENZOIC ACID
[CAS]

38861-88-0
[Synonyms]

4-ISOBUTYLBENZOIC ACID
IBUPROFEN IMP S
P-ISOBUTYLBENZOIC ACID
p-isobutyl-benzoicaci
Isobutylbenzoicacid
ZINCBIS(4-ISOBUTYLBENZOATE)
4-ISOBUTYLBENZOIC ACID 99+%
[Molecular Formula]

C11H14O2
[MDL Number]

MFCD00191658
[Molecular Weight]

178.23
[MOL File]

38861-88-0.mol
Chemical PropertiesBack Directory
[Melting point ]

144°C
[Boiling point ]

293.1±19.0 °C(Predicted)
[density ]

1.059±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.32±0.10(Predicted)
[color ]

White to Off-White
[Major Application]

pharmaceutical
[InChI]

InChI=1S/C11H14O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
[InChIKey]

VUBBCFWWSKOHTH-UHFFFAOYSA-N
[SMILES]

C1C=C(C(=O)O)C=CC=1CC(C)C
[CAS DataBase Reference]

38861-88-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[WGK Germany ]

WGK 3
[RTECS ]

DH3073800
[HS Code ]

2916399090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 3
Hazard InformationBack Directory
[Uses]

4-Isobutylbenzoic Acid is used in the studies for the identification of the degradation products and potential impurities in Ibuprofen. 4-Isobutylbenzoic Acid is also applied in the determination of related substances in dexibuprofen using HPLC.
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

4-Isobutylbenzoic Acid,>99.0%(GC)(T)(38861-88-0)
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