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4-tert-Butylbenzoic acid

4-tert-Butylbenzoic acid structure

CAS No:
98-73-7
Formula:
C11H14O2
Chemical Name:
4-tert-Butylbenzoic acid
Synonyms:
Benzoic acid,4-(1,1-dimethylethyl)-;Benzoic acid,p-tert-butyl-;4-(1,1-Dimethylethyl)benzoic acid;4-tert-Butylbenzoic acid;p-tert-Butylbenzoic acid;p-t-Butylbenzoic acid;p-tert-Butylphenylcarboxylic acid;NSC 4802;4-t-Butylbenzoic acid;4-Tertiary-butylbenzoic acid
Categories:
Cosmetic Ingredient > Perfuming

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Description

white to slightly yellow flakes

DryPowder; DryPowder, PelletsLargeCrystals; PelletsLargeCrystals

4-t-Butylbenzoic acid is an alkylbenzene.

4-tert-Butylbenzoic acid Basic Attributes

Molecular Weight：

178.23

Exact Mass：

178.23

EC Number：

202-696-3

UNII：

43Z7T3VN0R

NSC Number：

4802

DSSTox ID：

DTXSID0040703

Color/Form：

NEEDLES FROM DILUTE ALCOHOL

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

3.9

Appearance：

DryPowder; DryPowder, PelletsLargeCrystals; PelletsLargeCrystals

Density：

1.1±0.1 g/cm3

Melting Point：

164.5-165.5 °C

Boiling Point：

283.3ºC at 760 mmHg

Flash Point：

134.9±16.2 °C

Refractive Index：

1.524

Water Solubility：

0.07 g/L (20 ºC)

Storage Conditions：

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

<0.01 hPa (20 °C)

Toxicity：

LD50 orally in Rabbit: 473 - 735 mg/kg

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

2811

wgk germany：

hazard class code：

6.1

safety instructions：

S22-S24/25-S61-S45-S36/37/39-S28A

RTECS Number：

DG4708000

Marks：

T:Toxic

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280-P312

Hazard Statements：

H302 + H332-H311

GHS Classification：

|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P264, P270, P281, P301+P312, P308+P313, P314, P330, P405, and P501|H302 (89.31%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P264, P270, P273, P281, P301+P312, P308+P313, P314, P330, P391, P405, and P501|Aggregated GHS information provided by 614 companies from 35 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|P201, P202, P260, P264, P270, P281, P301+P312, P305+P351+P338, P307+P311, P308+P313, P314, P321, P330, P337+P313, P405, and P501

Toxicity

Bioconcentration：

4.57

Human Exposure：

OCCUPATIONAL EXPOSURE TO P-TERT-BUTYLBENZOIC ACID, HAD NO APPARENT CLIN OR EPIDEMIOL EFFECT ON TESTICULAR FUNCTION OF 90 WORKERS EXPOSED TO VARYING LEVELS. NO ADVERSE EFFECTS WERE SEEN IN HEPATIC, RENAL FUNCTION OR HEMATOPOIESIS.

Drug Information

Absorption：

...NOT ABSORBED THROUGH SKIN /FROM TABLE/

Human Toxicity Excerpts：

ACUTE EFFECTS ON SKIN: MILD IRRITANT /FROM TABLE/

MeSH Entry Terms：

4-tert-butylbenzoic acid

4-tert-Butylbenzoic acid Use and Manufacturing

Uses

Corrosion inhibitor in cooling fluids

Abrasives

Lubricants and greases

Production

500,000 - 1,000,000 lb

Manufacturing Info：

All other basic organic chemical manufacturing|Benzoic acid, 4-(1,1-dimethylethyl)-: ACTIVE

Computed Properties

Molecular Weight:178.23
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Price Analysis

Make your 4-tert-Butylbenzoic acid purchase based on the price and market insights! ECHEMI provides professional market insights with prices for you to make a better choice. Learn more on 4-tert-Butylbenzoic acid prices .

Data: 2026-08-16
Price: 19500.00Yuan/ton
Change: 0

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Guide of 4-tert-Butylbenzoic acid

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Price Analysis
Recommended Suppliers
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4-tert-Butylbenzoic acid

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