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3-Methylenepentane

3-Methylenepentane structure

CAS No:
760-21-4
Formula:
C6H12
Chemical Name:
3-Methylenepentane
Synonyms:
Pentane,3-methylene-;1-Butene,2-ethyl-;3-Methylenepentane;2-Ethyl-1-butene;1,1-Diethylethene;1,1-Diethylethylene;NSC 74120;3-Methylidenepentane
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Colorless liquid. Soluble in alcohol, acetone, ether, and benzene; insoluble in water. Combustible.

3-Methylenepentane Basic Attributes

Molecular Weight：

84.16

Exact Mass：

84.16

BRN：

1697102

EC Number：

212-078-5

UNII：

O5MH5V756E

NSC Number：

74120

UN Number：

1993

DSSTox ID：

DTXSID0061080

Characteristics

PSA：

XLogP3：

2.36260

Density：

1.028 g/cm³ @ Temp: 21 °C

Melting Point：

-131.5 °C

Boiling Point：

64.7 °C

Flash Point：

−15 °F

Refractive Index：

n20/D 1.396(lit.)

Water Solubility：

soluble in alcohol, and methanol. Insoluble in water.

Storage Conditions：

2-8°C

Vapor Pressure：

174.98 mmHg

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3295 3/PG 2

wgk germany：

hazard class code：

11-43-51/53

safety instructions：

36/37-61

Marks：

F,Xi,N

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P272, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P333+P313, P337+P313, P363, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H225

Fire Hazards：

Flammable - 3rd degree

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P272, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P333+P313, P337+P313, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 90 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Methylenepentane Use and Manufacturing

Uses

Organic synthesis of flavors, perfumes, medicines, dyes, resins.

Manufacturing Info：

Pentane, 3-methylene-: ACTIVE

Use Classification：

Fire Hazards -> Flammable - 3rd degree

Computed Properties

Molecular Weight:84.16
XLogP3:2.9
Rotatable Bond Count:2
Exact Mass:84.093900383
Monoisotopic Mass:84.093900383
Heavy Atom Count:6
Complexity:38
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes