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

CAS Number: 98-73-7
Chemical Formula: C11H14O2
Synonyms:

4-(1,1-dimethylethyl)benzoicacid
4-(1,1-dimethylethyl)-benzoicaci
P-TERT-BUTYLBENZOIC ACID

Appearance: White Powder

MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)

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Product Details

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

4-tert-Butylbenzoic acid is obtained by the liquid-phase air oxidation of 4-tert-butyltoluene (prepared from toluene and isobutylene). It is a modifier for alkyd resins and a polymerization regulator for polyesters. It is also used as an additive in cutting oils and as a corrosion inhibitor. It is hydrogenated to afford the fragrance 4- tert-butylbenzaldehyde.

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
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)

Safety Information

Hazard Codes	Xn,N,T
Risk Statements	20/22-62-51/53-48/20/21/22-24
Safety Statements	22-24/25-61-45-36/37/39-28A
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
RTECS	DG4708000
Autoignition Temperature	>510 °C
TSCA	TSCA listed
HazardClass	6.1
PackingGroup	III
HS Code	29163900
Storage Class	6.1D - Non-combustible acute toxic Cat.3 toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications	Acute Tox. 4 Oral Aquatic Chronic 3 Repr. 1B STOT RE 1
Hazardous Substances Data	98-73-7(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 473 - 735 mg/kg