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4-Methylheptane

4-Methylheptane structure

CAS No:
589-53-7
Formula:
C8H18
Chemical Name:
4-Methylheptane
Synonyms:
Heptane,4-methyl-;4-Methylheptane;NSC 73953

Description

Colorless liquid.Soluble in alcohol and ether; insoluble in water.Grade: Technical.

4-methylheptane is a branched C8 alkane, comprising heptane with a methyl group attached at C-4. It has been found in Amaranth seeds. It has a role as a plant metabolite.

4-Methylheptane Basic Attributes

Molecular Weight：

114.23

Exact Mass：

114.23

EC Number：

209-650-1

UNII：

N6BX267ALB

NSC Number：

73953

DSSTox ID：

DTXSID6060428

Characteristics

PSA：

XLogP3：

4.82

Density：

0.7217 g/cm³ @ Temp: 15 °C

Melting Point：

-121 °C

Boiling Point：

117.7 °C

Flash Point：

44 °F

Refractive Index：

1.401

Vapor Pressure：

0.77 psi ( 37.7 °C)

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

UN 1262 3/PG 2

wgk germany：

hazard class code：

11-38-50/53-65-67

safety instructions：

9-16-29-33-60-61-62

Marks：

F,Xn,N

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P312, P321, P331, P332+P313, P362, P370+P378, P391, 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, P261, P264, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P312, P321, P331, P332+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 68 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

Drug Information

Biological Half-Life：

4.00 Days

4-Methylheptane Use and Manufacturing

Uses

Organic synthesis.

Use Classification：

Fatty Acyls [FA] -> Hydrocarbons [FA11]

Computed Properties

Molecular Weight:114.23
XLogP3:4.3
Rotatable Bond Count:4
Exact Mass:114.140850574
Monoisotopic Mass:114.140850574
Heavy Atom Count:8
Complexity:33.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Methylheptane

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

4-Methylheptane

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