4-Methylbenzoic acid

Names

[ CAS No. ]:
99-94-5

[ Name ]:
4-Methylbenzoic acid

[Synonym ]:
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

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]:

Research Areas >> Others

[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

MSDS

Click to get detail MSDS

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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%

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