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5-METHYL-1-HEXYNE

5-METHYL-1-HEXYNE structure

CAS No:
2203-80-7
Formula:
C7H12
Chemical Name:
5-METHYL-1-HEXYNE
Synonyms:
ISOAMYLACETYLENE;5-METHYL-1-HEXYNE;5-methyl-hex-1-yne;1-hexyne,5-methyl-;isopentylacetylene;HC≡CCH2CH2CH(CH3)2;5-Methyl-1-hexyne97%;5-METHYL-1-HEXYNE99+%;(CH3)2CH(CH2)2CequivCH;Isoamylacetylene~Isopentylacetylene
Categories:
Chemical Reagents > Organic Reagents

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5-METHYL-1-HEXYNE Basic Attributes

Molecular Weight：

96.17

Exact Mass：

96.093903

BRN：

1731845

UNII：

LRO6EA6HK1

DSSTox ID：

DTXSID80176499

HScode：

2901299090

Characteristics

PSA：

XLogP3：

2.94

Density：

0.8±0.1 g/cm3

Melting Point：

-124°C

Boiling Point：

91-93°C

Flash Point：

-4°C

Refractive Index：

1.417

Water Solubility：

Not miscible in water.

Vapor Pressure：

68.1mmHg at 25°C

Safety Information

Packing level：

Hazard category：

Transport codes：

3295

wgk germany：

hazard class code：

11-65

safety instructions：

16-29-33-62-9

Marks：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P301+P310, P303+P361+P353, P331, P370+P378, 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, 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.

Computed Properties

Molecular Weight:96.17
XLogP3:2.7
Rotatable Bond Count:2
Exact Mass:96.093900383
Monoisotopic Mass:96.093900383
Heavy Atom Count:7
Complexity:71.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes