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

P-tert-butylbenzoic acid (PTBA) is a colorless needle shaped crystal or crystalline powder, a derivative of benzoic acid, and an important organic synthesis intermediate. Its main uses include: (1) as a modifier for the production of alkyd resins; (2) Used as cutting oil and lubricant additive for Chemicalbook; (3) Used as a nucleating agent for polypropylene; (4) Its barium salts, sodium salts, zinc salts, etc. can be used as stabilizers for polyvinyl chloride; (5) Used as a food preservative; (6) Regulating agents for polyester polymerization, etc.

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Model:
98-73-7
Brand:
futurechemical
Code:
98-73-7

Product Description

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
Cosmetics Ingredients Functions	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)