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Home > Encyclopedia > 3-METHYL-1-HEXYNE

3-METHYL-1-HEXYNE

3-METHYL-1-HEXYNE structure

3-METHYL-1-HEXYNE 

structure
  • CAS No:

    40276-93-5

  • Formula:

    C7H12

  • Chemical Name:

    3-METHYL-1-HEXYNE

  • Synonyms:

    3-METHYL-1-HEXYNE;1-Hexyne,3-methyl-;HC≡CCH(CH3)CH2CH2CH3;3-Methyl-1-hexyne,96%;1-Hexyne,3-methyl-(9CI);3-Methyl-1-hexynetechnicalgrade

3-METHYL-1-HEXYNE Basic Attributes

96.173

96.09390

Characteristics

0

2.05580

0.710 g/mL at 25ºC

-88.73°C (estimate)

85ºC at 760 mmHg

1.403

Safety Information

II

UN 3295

3

R11;R65

S16-S29-S33-S62

F

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

H225

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:96.17
XLogP3:2.8
Rotatable Bond Count:2
Exact Mass:96.093900383
Monoisotopic Mass:96.093900383
Heavy Atom Count:7
Complexity:73.3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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