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2-Octyne

2-Octyne structure

CAS No:
2809-67-8
Formula:
C8H14
Chemical Name:
2-Octyne
Synonyms:
2-Octyne;Methylpentylacetylene
Categories:
Chemical Reagents > Organic Reagents

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2-Octyne Basic Attributes

Molecular Weight：

110.2

Exact Mass：

110.20

BRN：

1697689

EC Number：

220-553-3

DSSTox ID：

DTXSID10182366

Characteristics

PSA：

XLogP3：

3.59

Density：

0.7596 g/cm³ @ Temp: 20 °C

Melting Point：

-61.6 °C

Boiling Point：

137.6 °C

Flash Point：

64 °F

Refractive Index：

1.429

Vapor Pressure：

7.50 mmHg

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3295 3/PG 1

wgk germany：

hazard class code：

11-36/37/38

safety instructions：

16-26-36

Marks：

F,Xi

Precautionary statement(s)：

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

Hazard Statements：

H225

GHS Classification：

|Danger|H225 (90.91%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P331, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:110.20
XLogP3:3.5
Rotatable Bond Count:3
Exact Mass:110.109550447
Monoisotopic Mass:110.109550447
Heavy Atom Count:8
Complexity:89.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes