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trans-4-Methyl-2-pentene

trans-4-Methyl-2-pentene structure

CAS No:
674-76-0
Formula:
C6H12
Chemical Name:
trans-4-Methyl-2-pentene
Synonyms:
2-Pentene,4-methyl-,(2E)-;2-Pentene,4-methyl-,(E)-;2-Pentene,4-methyl-,trans-;(2E)-4-Methyl-2-pentene;trans-4-Methyl-2-pentene;(E)-4-Methyl-2-pentene;4-Methyl-trans-2-pentene;trans-2-Methyl-3-pentene;NSC 73914
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

trans-4-Methyl-2-pentene is a colorless, transparent liquid that is soluble in alcohol, acetone, ether, petroleum and coal tar solvents, but insoluble in water. Its molecular formula is C₆H₁₂, its molecular weight is 84.16, its density is 0.686 g/mL at 20 °C, its melting point is -140.8 °C, its boiling point is 58 °C, its refractive index is n20/D 1.392, and its flash point is -33 °C.

trans-4-Methyl-2-pentene Basic Attributes

Molecular Weight：

84.16

Exact Mass：

84.16

EC Number：

211-616-6

UNII：

M38LU0DQ4J

NSC Number：

73914

DSSTox ID：

DTXSID4074302

Characteristics

PSA：

XLogP3：

2.21850

Density：

0.686 g/mL at 20ºC(lit.)

Melting Point：

-140.8 °C

Boiling Point：

58.6 °C

Flash Point：

-33 °C

Refractive Index：

n20/D 1.392

OH：

6.05e-11 cm3/molecule*sec

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3295 3/PG 2

wgk germany：

hazard class code：

36/37/38-65-11

safety instructions：

16-26-36-62

Marks：

F,Xi,Xn

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

trans-4-Methyl-2-pentene Use and Manufacturing

trans-4-Methyl-2-pentene is mainly used in organic synthesis and can be obtained by drying the trans isomer with CaH2 and then distilling it.

Computed Properties

Molecular Weight:84.16
XLogP3:2.4
Rotatable Bond Count:1
Exact Mass:84.093900383
Monoisotopic Mass:84.093900383
Heavy Atom Count:6
Complexity:42
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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