4-tert-Butylbenzoic acid CAS 98-73-7

4-tert-Butylbenzoic acid Basic information

Product Name:

4-tert-Butylbenzoic acid

CAS:

98-73-7

MF:

C11H14O2

MW:

178.23

EINECS:

202-696-3

Mol File:

98-73-7.mol

4-tert-Butylbenzoic acid Chemical Properties

Melting point

162-165 °C(lit.)

Boiling point

280°C

bulk density

340kg/m3

density

1.045 g/cm3 (30°C)

vapor pressure

<0.01 hPa (20 °C)

refractive index

1.5201 (estimate)

Fp

180 °C

storage temp.

Store below +30°C.

solubility

12.6g/l

pka

4.38(at 25℃)

form

Solid

color

White to Off-White

PH

3.9 (H2O, 20℃)(saturated solution)

Water Solubility

0.07 g/L (20 ºC)

BRN

607545

Henry's Law Constant

3.5×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)

Cosmetics Ingredients Functions

PERFUMING

FRAGRANCE

InChI

1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)

InChIKey

KDVYCTOWXSLNNI-UHFFFAOYSA-N

SMILES

CC(C)(C)c1ccc(cc1)C(O)=O

LogP

3.4 at 21℃

CAS DataBase Reference

98-73-7(CAS DataBase Reference)

NIST Chemistry Reference

Benzoic acid, p-tert-butyl-(98-73-7)

EPA Substance Registry System

p-tert-Butylbenzoic acid (98-73-7)