4-tert-Butylbenzoic acid

Modify Date: 2024-01-02 19:21:52

4-tert-Butylbenzoic acid Structure
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
GHS06		 Signal Word Danger

 Names

Name 4-tert-Butylbenzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

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
Water Solubility 0.07 g/L (20 ºC)

 Toxicological Information

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)

 Safety Information

Symbol GHS06
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 & DownStream

Precursor  0

DownStream  1

 Customs

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%

 Articles12

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 Synonyms

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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