4-Methylbenzoic acid

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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

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

  • 4-Chlorotoluene
  • p-tolylmethanol
  • p-Xylene
  • Ethanone,2-hydroxy-1,2-bis(4-methylphenyl)-
  • 4-Methylstyrene
  • Carbon dioxide
  • 4-Bromotoluene
  • (4-METHYLPHENYL)-1,2-ETHANEDIOL
  • p-Tolualdehyde
  • carbon monoxide

DownStream

  • 2-methyl-3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one
  • 6,8-dibromo-2-methyl-3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one
  • 4-(4-Oxobutyl)benzoic acid methyl ester
  • 2-chloro-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
  • pyren-1-ylmethyl 4-methylbenzoate
  • 4-Methylphthalic acid
  • 3-Iodo-4-methylaniline
  • 4-Methylcyclohexanemethanol
  • 4-(Bromomethyl)-3-nitrobenzoic acid
  • 2-Hydroxy-4-methylbenzoic acid

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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Related Compounds

  • 2-iodo-4-methylbenzoic acid
  • 3-Iodo-4-methylbenzoic acid
  • 2-Amino-4-methylbenzoic acid
  • 2-azido-4-methylbenzoic acid
  • 3-Bromo-4-methylbenzoic acid
  • 2-Bromo-4-methylbenzoic acid
  • 2-(benzo[d]thiazol-2-yl(methyl)amino)-N-(3,4,5-trimethoxyphenyl)acetamide
  • 2-(benzo[d]thiazol-2-yl(methyl)amino)-N-(2-oxotetrahydrothiophen-3-yl)acetamide
  • 2-(benzo[d]thiazol-2-yl(methyl)amino)-N-(4-(2-(methylamino)-2-oxoethyl)thiazol-2-yl)acetamide
  • 2-(Benzo[d]thiazol-2-yl(methyl)amino)-1-(4-(2-hydroxyphenyl)piperazin-1-yl)ethanone
  • 2-(benzo[d]thiazol-2-yl(methyl)amino)-N-(3-(methylsulfonamido)phenyl)acetamide
  • 2-(benzo[d]thiazol-2-yl(methyl)amino)-N-(3-(2-methylthiazol-4-yl)phenyl)acetamide
  • 2-(benzo[d]thiazol-2-yl(methyl)amino)-N-(5-methylthiazol-2-yl)acetamide
  • 2-(benzo[d]thiazol-2-yl(methyl)amino)-N-(1H-indazol-6-yl)acetamide
  • 2-((4-methoxybenzo[d]thiazol-2-yl)(methyl)amino)-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)acetamide
  • N-(4-(1H-tetrazol-1-yl)phenyl)-2-((4-methoxybenzo[d]thiazol-2-yl)(methyl)amino)acetamide
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