4-Methylbenzoic acid

Modify Date: 2024-01-02 11:16:39

4-Methylbenzoic acid Structure
4-Methylbenzoic acid structure
 Common Name 4-Methylbenzoic acid
CAS Number 99-94-5 Molecular Weight 136.148
Density 1.2±0.1 g/cm3 Boiling Point 275.3±9.0 °C at 760 mmHg
Molecular Formula C8H8O2 Melting Point 179 °C
MSDS Chinese USA Flash Point 124.7±13.4 °C

 Use of 4-Methylbenzoic acid


p-Toluic acid (4-Methylbenzoic acid) is a substituted benzoic acid and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc.

 Names

Name p-toluic acid
Synonym More Synonyms

 4-Methylbenzoic acid Biological Activity

Description p-Toluic acid (4-Methylbenzoic acid) is a substituted benzoic acid and can be used as an intermediate for the synthesis of para-aminomethylbenzoic acid (PAMBA), p-tolunitrile, etc.
Related Catalog
Target

Human Endogenous Metabolite

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 275.3±9.0 °C at 760 mmHg
Melting Point 179 °C
Molecular Formula C8H8O2
Molecular Weight 136.148
Flash Point 124.7±13.4 °C
Exact Mass 136.052429
PSA 37.30000
LogP 2.36
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.556
Storage condition Store at RT.
Stability Stable. Incompatible with strong oxidizing agents, strong bases.
Water Solubility <0.1 g/100 mL at 19 ºC

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XU1575000
CHEMICAL NAME :
p-Toluic acid
CAS REGISTRY NUMBER :
99-94-5
BEILSTEIN REFERENCE NO. :
0507600
LAST UPDATED :
199710
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C8-H8-O2
MOLECULAR WEIGHT :
136.16
WISWESSER LINE NOTATION :
QVR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
874 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Cardiac - EKG changes not diagnostic of specified effects Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 12,1893,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2340 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Cardiac - EKG changes not diagnostic of specified effects Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 12,1893,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
916 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Cardiac - EKG changes not diagnostic of specified effects Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 12,1893,1978 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1917 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 4354 (estimated) No. of Female Employees: 729 (estimated)

 Safety Information

Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xn:Harmful
Risk Phrases R22
Safety Phrases S22-S24/25
RIDADR NONH for all modes of transport
WGK Germany 1
RTECS XU1575000
HS Code 29163900

 Synthetic Route

 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%

 Articles1

More Articles
Novel capsaicin analogues as potential anticancer agents: synthesis, biological evaluation, and in silico approach.

Arch. Pharm. (Weinheim) 347(12) , 885-95, (2014)

A novel class of benzo[d][1,3]dioxol-5-ylmethyl alkyl/aryl amide and ester analogues of capsaicin were designed, synthesized, and evaluated for their cytotoxic activity against human and murine cancer...

 Synonyms

Benzoic acid, 4-methyl-
2PNS-Q06-0
Crithminic acid
para-Toluic acid
p-Toluic acid
4-Methyl-Benzoic Acid
4'-methyl-2-biphenylsulphonyl chloride
Toluenecarboxylic acid
p-toluenebenzenesulfonyl chloride
p-Me-benzoic acid
EINECS 202-803-3
p-methyl benzoic acid
p-toluenecarboxylic acid
p-Methylbenzoic Acid
4'-Methylbiphenyl-2-sulfonyl chloride
MFCD00002565
4-TOLUIC ACID
4-Methyl Benzoic acid
4-Methylbenzoic acid
p-toluylic acid
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