4-Ethyltoluene

Modify Date: 2026-06-30 23:52:16

4-Ethyltoluene structure	Common Name	4-Ethyltoluene
	CAS Number	622-96-8	Molecular Weight	120.192
	Density	0.9±0.1 g/cm3	Boiling Point	161.7±10.0 °C at 760 mmHg
	Molecular Formula	C₉H₁₂	Melting Point	-62ºC
	MSDS	N/A	Flash Point	36.7±0.0 °C

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

Name	1-ethyl-4-methylbenzene
Synonym	More Synonyms

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

Density	0.9±0.1 g/cm3
Boiling Point	161.7±10.0 °C at 760 mmHg
Melting Point	-62ºC
Molecular Formula	C₉H₁₂
Molecular Weight	120.192
Flash Point	36.7±0.0 °C
Exact Mass	120.093903
LogP	3.67
Vapour Pressure	2.9±0.1 mmHg at 25°C
Index of Refraction	1.498
InChIKey	JRLPEMVDPFPYPJ-UHFFFAOYSA-N
SMILES	CCc1ccc(C)cc1
Storage condition	Flammables area

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

4-Ethyltoluene MSDS(Chinese)

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XT2550000

CHEMICAL NAME :: Toluene, p-ethyl-

CAS REGISTRY NUMBER :: 622-96-8

LAST UPDATED :: 199806

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C9-H12

MOLECULAR WEIGHT :: 120.21

WISWESSER LINE NOTATION :: 2R 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 :: 4850 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0535702 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 27300 mg/kg/13W-C

TOXIC EFFECTS :: Liver - changes in liver weight Related to Chronic Data - death Related to Chronic Data - changes in testicular weight

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0535702 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 4200 mg/kg

SEX/DURATION :: female 6-19 day(s) after conception

TOXIC EFFECTS :: Reproductive - Maternal Effects - other effects Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0535702 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T1999 No. of Facilities: 13 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 279 (estimated)

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

Hazard Codes	Xn
Risk Phrases	R10
Safety Phrases	S16
RIDADR	UN 3295 3/PG 3
WGK Germany	3
RTECS	XT2550000
Packaging Group	III
Hazard Class	3.2
HS Code	2902909090

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

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 9
CAS#:622-97-9 4-Methylstyrene CAS#:201230-82-2 carbon monoxide CAS#:122-00-9 4'-Methylacetop... CAS#:54509-73-8 ethene
CAS#:108-88-3 Toluene CAS#:536-50-5 1-(4-Methylphen... CAS#:42071-14-7 Xanthenone-4-ca... CAS#:356570-52-0 4,4,5,5-TETRAME...
CAS#:74-88-4 methyl iodide
DownStream 9
CAS#:622-97-9 4-Methylstyrene CAS#:536-50-5 1-(4-Methylphen... CAS#:122-00-9 4'-Methylacetop... CAS#:4748-78-1 4-Ethylbenzaldehyde
CAS#:67035-84-1 p-ethylbenzyl a... CAS#:768-59-2 4-ethylbenzyl a... CAS#:104-87-0 p-Tolualdehyde CAS#:49592-71-4 Methyl 4-Methyl...
CAS#:33414-49-2 1-(3-Hydroxy-4-...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code	2902909090
Summary	2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: qHTS assay to identify small molecule antagonists of the peroxisome proliferator-acti...
Source: 824
Target: N/A
External Id: PPARGV841

Name: qHTS assay to identify small molecule agonists of the TGF-beta/Smad signaling pathway...
Source: 824
Target: N/A
External Id: TGF788

Name: qHTS assay to identify small molecule antagonists of the TGF-beta/Smad signaling path...
Source: 824
Target: N/A
External Id: TGF602

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cell fr...
Source: 824
Target: N/A
External Id: SPEC167MG

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: qHTS assay to identify small molecule agonists of the peroxisome proliferator-activat...
Source: 824
Target: N/A
External Id: PPARDV813

Name: qHTS assay to test for compound auto fluorescence at 590 nm (red) in HEK293 cell free...
Source: 824
Target: N/A
External Id: SPEC167MR

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: qHTS assay to test for compound auto fluorescence at 535 nm (green) in HEK293 cells
Source: 824
Target: N/A
External Id: SPEC167CG

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

12C9-4-ethyltoluene

EINECS 210-761-2

P-ETHYLTOLUENE

para-ethyl toluene

para-methylethylbenzene

4-Ethyltoluene

4-Methylethylbenzene

1-Ethyl-4-methylbenzene

Benzene,1-ethyl-4-methyl

p-Methylethylbenzene

MFCD00009263

1-Methyl-4-ethylbenzene

p-Ethylmethylbenzene

4-methyl benzene

Toluene,p-ethyl

PARA-ETHYLTOLUENE

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

Q: What is the SMILES notation of 1-ethyl-4-methylbenzene?

A: SMILES notation of 1-ethyl-4-methylbenzene is CCc1ccc(C)cc1.

Q: What is the InChIKey of 1-ethyl-4-methylbenzene?

A: InChIKey of 1-ethyl-4-methylbenzene is JRLPEMVDPFPYPJ-UHFFFAOYSA-N.

Q: What is the CAS number of 1-ethyl-4-methylbenzene?

A: CAS number of 1-ethyl-4-methylbenzene is 622-96-8.

Q: What is the melting point of 1-ethyl-4-methylbenzene?

A: Melting point of 1-ethyl-4-methylbenzene is -62ºC.

Q: What are the storage conditions for 1-ethyl-4-methylbenzene?

A: Storage conditions for 1-ethyl-4-methylbenzene: Flammables area.

Q: What is the English name of 1-ethyl-4-methylbenzene?

A: The English name of 1-ethyl-4-methylbenzene is 1-ethyl-4-methylbenzene.

Q: What is the molecular weight of 1-ethyl-4-methylbenzene?

A: Molecular weight of 1-ethyl-4-methylbenzene is 120.192.

Q: What is the molecular formula of 1-ethyl-4-methylbenzene?

A: Molecular formula of 1-ethyl-4-methylbenzene is C9H12.

Q: What are the upstream materials of 1-ethyl-4-methylbenzene?

A: Related upstream materials(CAS) of 1-ethyl-4-methylbenzene: 622-97-9;201230-82-2;122-00-9;54509-73-8;108-88-3;536-50-5;42071-14-7;356570-52-0;74-88-4.

Q: What is the safety information for 1-ethyl-4-methylbenzene?

A: Safety information for 1-ethyl-4-methylbenzene: S16.

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.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 4-Ethyltoluene
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 4-Ethyltoluene
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: 1-ethyl-4-methylbenzene
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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4-Ethyltoluene

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ACUTE TOXICITY DATA

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