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2-Methyloctane

2-Methyloctane structure

CAS No:
3221-61-2
Formula:
C9H20
Chemical Name:
2-Methyloctane
Synonyms:
Octane,2-methyl-;2-Methyloctane;NSC 23695
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

colourless liquid

Liquid

2-Methyloctane Basic Attributes

Molecular Weight：

128.26

Exact Mass：

128.26

EC Number：

221-748-6

UNII：

AV5KXW7I9L

NSC Number：

23695

UN Number：

3295

HScode：

2901100000

Characteristics

PSA：

XLogP3：

5.35

Appearance：

Liquid

Density：

0.7107 g/cm³ @ Temp: 20.1 °C

Melting Point：

-80.3 °C

Boiling Point：

143.2 °C

Flash Point：

26 °C

Refractive Index：

1.407

Water Solubility：

2.691 mg/L @ 25 °C (est)

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 3295 3/PG 3

wgk germany：

hazard class code：

Stability/Shelf Life：

Stable. Highly flammable. Incompatible with strong oxidizing agents. Vapour may form explosive mixtures with air.

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501

Hazard Statements：

H226

Fire Hazards：

Flammable - 3rd degree

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning 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 9 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225 (90.91%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P310, P303+P361+P353, P304+P312, P304+P340, P309+P311, P312, P314, P331, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 17 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Methyloctane Use and Manufacturing

Manufacturing Info：

Alkanes, C8-10-iso-: ACTIVE

Use Classification：

Fire Hazards -> Flammable - 3rd degree

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:46
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes