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1-Ethyl-3-methylbenzene

1-Ethyl-3-methylbenzene structure

CAS No:
620-14-4
Formula:
C9H12
Chemical Name:
1-Ethyl-3-methylbenzene
Synonyms:
Benzene,1-ethyl-3-methyl-;Toluene,m-ethyl-;1-Ethyl-3-methylbenzene;3-Ethyltoluene;1-Methyl-3-ethylbenzene;m-Ethylmethylbenzene;3-Methylethylbenzene;m-Ethyltoluene;m-Methylethylbenzene;NSC 74176
Categories:
Chemical Reagents > Organic Reagents

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Description

ChEBI: A derivative of toluene bearing an additional ethyl substituent at position 3.

3-ethyltoluene is a derivative of toluene bearing an additional ethyl substituent at position 3.

1-Ethyl-3-methylbenzene Basic Attributes

Molecular Weight：

120.19

Exact Mass：

120.19

BRN：

1850821

EC Number：

210-626-8

UNII：

737PTD7O7E

NSC Number：

74176

DSSTox ID：

DTXSID6050386

HScode：

2902909090

Characteristics

PSA：

XLogP3：

3.6

Density：

0.867 g/cm³ @ Temp: 20 °C

Melting Point：

-95.5 °C

Boiling Point：

161.3 °C

Flash Point：

101 °F

Refractive Index：

1.498

Water Solubility：

Not miscible or difficult to mix in water.

Vapor Pressure：

3.04 mmHg

OH：

1.92e-11 cm3/molecule*sec

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 3295 3/PG 3

wgk germany：

hazard class code：

10-51/53

safety instructions：

16-61

RTECS Number：

DA0712000

Marks：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P301+P310, P303+P361+P353, P304+P340, P312, P331, P370+P378, P391, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P301+P310, P303+P361+P353, P304+P340, P312, P331, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 80 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Biological Half-Life：

3.00 Days

MeSH Entry Terms：

3-ethyltoluene

Computed Properties

Molecular Weight:120.19
XLogP3:3.6
Rotatable Bond Count:1
Exact Mass:120.093900383
Monoisotopic Mass:120.093900383
Heavy Atom Count:9
Complexity:76.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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