4-tert-Butylbenzoic acid

Modify Date: 2025-08-20 17:37:44

4-tert-Butylbenzoic acid structure	Common Name	4-tert-Butylbenzoic acid
	CAS Number	98-73-7	Molecular Weight	178.228
	Density	1.1±0.1 g/cm3	Boiling Point	283.3±19.0 °C at 760 mmHg
	Molecular Formula	C₁₁H₁₄O₂	Melting Point	162-165 °C(lit.)
	MSDS	Chinese USA	Flash Point	134.9±16.2 °C
	Symbol	GHS06	Signal Word	Danger

Name	4-tert-Butylbenzoic acid
Synonym	More Synonyms

Density	1.1±0.1 g/cm3
Boiling Point	283.3±19.0 °C at 760 mmHg
Melting Point	162-165 °C(lit.)
Molecular Formula	C₁₁H₁₄O₂
Molecular Weight	178.228
Flash Point	134.9±16.2 °C
Exact Mass	178.099380
PSA	37.30000
LogP	3.58
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.524
InChIKey	KDVYCTOWXSLNNI-UHFFFAOYSA-N
SMILES	CC(C)(C)c1ccc(C(=O)O)cc1
Water Solubility	0.07 g/L (20 ºC)

4-tert-Butylbenzoic acid MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG4708000

CHEMICAL NAME :: Benzoic acid, p-tert-butyl-

CAS REGISTRY NUMBER :: 98-73-7

BEILSTEIN REFERENCE NO. :: 0607545

LAST UPDATED :: 199710

DATA ITEMS CITED :: 11

MOLECULAR FORMULA :: C11-H14-O2

MOLECULAR WEIGHT :: 178.25

WISWESSER LINE NOTATION :: QVR XX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 700 mg/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression Skin and Appendages - hair

REFERENCE :: TSCAT* Office of Toxic Substances Report. (U.S. Environmental Protection Agency, Office of Toxic Substances, 401 M St., SW, Washington, DC 20460) Volume(issue)/page/year: OTS0510267

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >1900 mg/m3/4H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0382-0440S ** REPRODUCTIVE DATA **

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

DOSE :: 106 mg/m3/6H

SEX/DURATION :: male 7 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct

REFERENCE :: JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 6(2),233,1987

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

DOSE :: 12500 ug/m3/6H

SEX/DURATION :: male 7 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)

REFERENCE :: JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 6(2),233,1987

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

DOSE :: 4550 mg/kg

SEX/DURATION :: male 65 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct

REFERENCE :: TOXID9 Toxicologist. (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway, Akron, OH 44311) V.1- 1981- Volume(issue)/page/year: 4,146,1984

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

DOSE :: 2450 mg/kg

SEX/DURATION :: male 7 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - other effects on male

REFERENCE :: JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 6(2),233,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83738 No. of Facilities: 1197 (estimated) No. of Industries: 35 No. of Occupations: 30 No. of Employees: 23484 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83738 No. of Facilities: 45 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 4322 (estimated) No. of Female Employees: 356 (estimated)

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H302 + H332-H311
Precautionary Statements	P280-P312
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard Codes	T:Toxic
Risk Phrases	R20/22;R24;R48/20/21/22;R51/53;R62
Safety Phrases	S22-S24/25-S61-S45-S36/37/39-S28A
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
RTECS	DG4708000
Packaging Group	III
Hazard Class	6.1
HS Code	29163900

Precursor 0
DownStream 1
CAS#:63767-85-1 ethyl 4-tert-bu...

HS Code	2916399090
Summary	2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: The compound was tested for % change in plasma triglycerides in normocholesterolemic ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL771242

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898

Name: Inhibition of pieris rapae Phenoloxidase
Source: ChEMBL
Target: N/A
External Id: CHEMBL891104

Total 227, Current Page 1 of 23

Methyl 4-tert-butylbenzoate

4-tert-Bu-lbenzoic acid

para-tert-butylbenzoic acid

4-t-Bu-benzoic acid

p-t-butylbenzoic acid

TBBA

4-tert-butyl-benzoic acid

Benzoic acid,p-tert-butyl

4-(1,1-dimethylethyl)-benzoic acid

EINECS 202-696-3

Benzoic acid,4-tert-butyl

4-t-Butylbenzoic acid

P-TERT-BUTYLBENZOIC ACID

MFCD00002563

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 4-tert-Butylbenzoic acid
Price: Check
Purity: 99.0%
Delivery: 10 Day
Contact: Yang
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4-tert-Butylbenzoic acid
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: 4-tert-Butylbenzoic acid
Price: ￥88.0/500g
Purity: 99.0%
Delivery: Inquiry
Contact: Liu jia
Email: 2130147988@qq.com

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4-tert-Butylbenzoic acid

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Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Precursor & DownStream

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4-tert-Butylbenzoic acidBioassay

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.