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3-Methyloctane

3-Methyloctane structure

CAS No:
2216-33-3
Formula:
C9H20
Chemical Name:
3-Methyloctane
Synonyms:
Octane,3-methyl-;3-Methyloctane;NSC 23689;(±)-3-Methyloctane

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3-Methyloctane Basic Attributes

Molecular Weight：

128.259

Exact Mass：

128.26

EC Number：

218-686-7

NSC Number：

23689

HScode：

2901100000

Characteristics

PSA：

XLogP3：

5.35

Density：

0.714 g/cm³ @ Temp: 27 °C

Melting Point：

-107.6 °C

Boiling Point：

144.2 °C

Flash Point：

25.3±11.4 °C

Refractive Index：

1.407

Water Solubility：

0.8mg/L(23 ºC)

Vapor Pressure：

6.69mmHg at 25°C

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

1920

hazard class code：

R10

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, P501

Hazard Statements：

H224

GHS Classification：

|Danger|H225 (88.37%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-Methyloctane Use and Manufacturing

Use Classification：

Fatty Acyls [FA] -> Hydrocarbons [FA11]

Computed Properties

Molecular Weight:128.25
XLogP3:4.8
Rotatable Bond Count:5
Exact Mass:128.156500638
Monoisotopic Mass:128.156500638
Heavy Atom Count:9
Complexity:48
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Methyloctane

CAS No.: 2216-33-3

Content: 99.00%

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Guide of 3-Methyloctane

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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3-Methyloctane

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