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Home > Encyclopedia > (±)-2,4-Dimethylhexane

(±)-2,4-Dimethylhexane

(±)-2,4-Dimethylhexane structure

(±)-2,4-Dimethylhexane 

structure
  • CAS No:

    589-43-5

  • Formula:

    C8H18

  • Chemical Name:

    (±)-2,4-Dimethylhexane

  • Synonyms:

    Hexane,2,4-dimethyl-;2,4-Dimethylhexane;NSC 74171;(±)-2,4-Dimethylhexane;116502-44-4

Description

2,4-dimethylhexane is an alkane that is hexane carrying a methyl group at positions 2 and 4. It has a role as a human metabolite. It is an alkane and a volatile organic compound. It derives from a hydride of a hexane.

(±)-2,4-Dimethylhexane Basic Attributes

114.232

114.23

209-649-6

74171

DTXSID7029821

Characteristics

0

4.64

0.7083 g/cm3 @ Temp: 15 °C

<25 °C

109.5 °C

22.9±7.9 °C

1.399

1.294mg/L(temperature not stated)

48 mm Hg ( 34 °C)

Safety Information

II

3.1

UN 1262 3/PG 2

3

11-38-50/53-65-67

S9-S16-S29-S33-S60-S61-S62

F,Xn,N

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

H225

|Danger|H224 (15.28%): Extremely 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 216 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|Aggregated GHS information provided by 69 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

(±)-2,4-Dimethylhexane Use and Manufacturing

Food additives -> Flavoring Agents|Cosmetics -> Solvent

Flavoring Agents

Computed Properties

Molecular Weight:114.23
XLogP3:4
Rotatable Bond Count:3
Exact Mass:114.140850574
Monoisotopic Mass:114.140850574
Heavy Atom Count:8
Complexity:46
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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