38861-88-0

Name 4-ISOBUTYLBENZOIC ACID
CAS 38861-88-0
Molecular Formula C11H14O2
MDL Number MFCD00191658
Molecular Weight 178.23
MOL File 38861-88-0.mol
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Chemical Properties

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 Data

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 Information

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