1,2,4-TRIMETHYL BENZENE

Modify Date: 2026-07-01 15:53:03

1,2,4-TRIMETHYL BENZENE Structure
1,2,4-TRIMETHYL BENZENE structure
 Common Name 1,2,4-TRIMETHYL BENZENE
CAS Number 95-63-6 Molecular Weight 120.19200
Density 0.88 Boiling Point 168 °C(lit.)
Molecular Formula C9H12 Melting Point -44 °C
MSDS Chinese USA Flash Point 120 °F
Symbol GHS02 GHS07 GHS08 GHS09
GHS02, GHS07, GHS08, GHS09		 Signal Word Danger

Summary: 1,2,4-trimethylbenzene, Chinese name: 1,2,4-三甲苯, CAS number: 95-63-6, molecular formula: C9H12, molecular weight: 120.19200. Appearance: transparent liquid, melting point: -44 °C, boiling point: 168 °C. Primarily used in production of PVC plastic plasticizers, powder coatings, medicines, dyes, synthetic resins, etc. For research-use only, not for medical or clinical usage.

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 1,2,4-trimethylbenzene
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 0.88
Boiling Point 168 °C(lit.)
Melting Point -44 °C
Molecular Formula C9H12
Molecular Weight 120.19200
Flash Point 120 °F
Exact Mass 120.09400
LogP 2.61180
Vapour density 4.1 (vs air)
Vapour Pressure 4.5 mm Hg ( 37.7 °C)
Index of Refraction n20/D 1.504(lit.)
InChIKey GWHJZXXIDMPWGX-UHFFFAOYSA-N
SMILES Cc1ccc(C)c(C)c1
Stability Stable. Incompatible with strong oxidizing agents. Flammable. May form explosive mixtures with air.

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DC3325000
CHEMICAL NAME :
Benzene, 1,2,4-trimethyl-
CAS REGISTRY NUMBER :
95-63-6
LAST UPDATED :
199710
DATA ITEMS CITED :
14
MOLECULAR FORMULA :
C9-H12
MOLECULAR WEIGHT :
120.21
WISWESSER LINE NOTATION :
1R B1 D1

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 :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,34,1986
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
18 gm/m3/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 44(5),15,1979
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1752 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,1258,1989
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1788 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 9,227,1954 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 gm/kg/4W-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
TIHEEC Toxicology and Industrial Health. (Princeton Scientific Pub. Co., POB 2155, Princeton, NJ 08540) V.1- 1985- Volume(issue)/page/year: 1(3),67,1985
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6400 mg/kg/8W-I
TOXIC EFFECTS :
Peripheral Nerve and Sensation - recording from afferent nerve Peripheral Nerve and Sensation - recording from peripheral motor nerve Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 13,123,1993
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20 mg/m3/24H/17W-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - other changes in urine composition Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - catalases
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 44(5),15,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - B0044 No. of Facilities: 33 (estimated) No. of Industries: 2 No. of Occupations: 13 No. of Employees: 3186 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - B0044 No. of Facilities: 3684 (estimated) No. of Industries: 47 No. of Occupations: 42 No. of Employees: 65953 (estimated) No. of Female Employees: 9768 (estimated)

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS02 GHS07 GHS08 GHS09
GHS02, GHS07, GHS08, GHS09
Signal Word Danger
Hazard Statements H226-H304-H315-H319-H332-H335-H411
Precautionary Statements P261-P273-P301 + P310-P305 + P351 + P338-P331
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn:Harmful;N:Dangerousfortheenvironment;
Risk Phrases R10;R20;R36/37/38;R51/53
Safety Phrases S26-S61-S45-S36/37-S16-S7
RIDADR UN 3295 3/PG 3
WGK Germany 2
RTECS DC3325000
Packaging Group III
Hazard Class 3

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Articles26

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and org...

Developmental toxicity of two trimethylbenzene isomers, mesitylene and pseudocumene, in rats following inhalation exposure.

Food Chem. Toxicol. 43(7) , 1055-63, (2005)

The developmental toxicity of two trimethylbenzene isomers, mesitylene (1,3,5-trimethylbenzene) and pseudocumene (1,2,4-trimethylbenzene) was studied in Sprague-Dawley rats following inhalation exposu...

Kinetics and mechanism of the reaction of OH with the trimethylbenzenes--experimental evidence for the formation of adduct isomers.

Phys. Chem. Chem. Phys. 14(40) , 13933-48, (2012)

The reversible gas-phase addition of OH radicals to the trimethylbenzenes was investigated in pulsed experiments utilizing VUV flash-photolysis resonance-fluorescence of H(2)O in the temperature range...

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

EINECS 202-436-9
1,2,4-Trimethylbenzene
1,2,4-trimethyl benzene
MFCD00008527
Pseudoaspidinol-iB
pseudo-cymene
Pseudocumol
pseudocumene

 1,2,4-TRIMETHYL BENZENE | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular formula of 1,2,4-trimethylbenzene?
A: Molecular formula of 1,2,4-trimethylbenzene is C9H12.
Q: What is the molecular weight of 1,2,4-trimethylbenzene?
A: Molecular weight of 1,2,4-trimethylbenzene is 120.19200.
Q: What are the downstream products of 1,2,4-trimethylbenzene?
A: Related downstream products(CAS) of 1,2,4-trimethylbenzene: 10340-77-9;38147-10-3;34643-29-3;527-60-6;496-78-6;2416-94-6;697-82-5;935-92-2;95-47-6;106-42-3.
Q: What is the CAS number of 1,2,4-trimethylbenzene?
A: CAS number of 1,2,4-trimethylbenzene is 95-63-6.
Q: What is the SMILES notation of 1,2,4-trimethylbenzene?
A: SMILES notation of 1,2,4-trimethylbenzene is Cc1ccc(C)c(C)c1.
Q: What is the safety information for 1,2,4-trimethylbenzene?
A: Safety information for 1,2,4-trimethylbenzene: S26-S61-S45-S36/37-S16-S7.
Q: What are the upstream materials of 1,2,4-trimethylbenzene?
A: Related upstream materials(CAS) of 1,2,4-trimethylbenzene: 824-55-5;15764-16-6;74-99-7;56-23-5;74-83-9;71-43-2;32588-46-8;824-45-3;54497-05-1.
Q: What is the melting point of 1,2,4-trimethylbenzene?
A: Melting point of 1,2,4-trimethylbenzene is -44 °C.
Q: What English synonyms does 1,2,4-trimethylbenzene have?
A: English synonyms of 1,2,4-trimethylbenzene: EINECS 202-436-9, 1,2,4-Trimethylbenzene, 1,2,4-trimethyl benzene, MFCD00008527, Pseudoaspidinol-iB, pseudo-cymene, Pseudocumol, pseudocumene.
Q: What is the InChIKey of 1,2,4-trimethylbenzene?
A: InChIKey of 1,2,4-trimethylbenzene is GWHJZXXIDMPWGX-UHFFFAOYSA-N.

 1,2,4-TRIMETHYL BENZENEfactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
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Chemsrc provides 1,2,4-TRIMETHYL BENZENE(CAS#:95-63-6) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of 1,2,4-TRIMETHYL BENZENE are included as well.>> amp version: 1,2,4-TRIMETHYL BENZENE

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