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3-Methylheptane

3-Methylheptane structure

CAS No:
589-81-1
Formula:
C8H18
Chemical Name:
3-Methylheptane
Synonyms:
Heptane,3-methyl-;3-Methylheptane;2-Ethylhexane;(±)-3-Methylheptane;NSC 24845;116502-43-3
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Colorless liquid.

Liquid

3-Methylheptane is an alkane.

3-Methylheptane Basic Attributes

Molecular Weight：

114.23

Exact Mass：

114.23

BRN：

1730777

EC Number：

209-660-6

NSC Number：

24845

Characteristics

PSA：

XLogP3：

4.82

Appearance：

Liquid

Density：

0.7167 g/cm³ @ Temp: 20 °C

Melting Point：

-100 °C

Boiling Point：

118 °C

Flash Point：

45 °F

Refractive Index：

1.401

Water Solubility：

0.000792 mg/mL at 25 °C

Vapor Pressure：

0.73 psi ( 37.7 °C)

Safety Information

Packing level：

Hazard category：

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,Xi

Hazard note：

Irritant/Highly Flammable

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 94 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

3-Methylheptane Use and Manufacturing

Uses

Calibration, organic synthesis.

Manufacturing Info：

Heptane, 3-methyl-: ACTIVE

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:39.3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes