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1-Ethynylcyclohexene

1-Ethynylcyclohexene structure

CAS No:
931-49-7
Formula:
C8H10
Chemical Name:
1-Ethynylcyclohexene
Synonyms:
Cyclohexene,1-ethynyl-;1-Ethynylcyclohexene;1-Ethynyl-1-cyclohexene;(1-Cyclohexenyl)acetylene;1-Cyclohexen-1-ylacetylene;(1-Cyclohexenyl)ethyne;1-Cyclohexen-1-ylethyne;Cyclohex-1-enylacetylene;1233883-25-4
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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1-Ethynylcyclohexene Basic Attributes

Molecular Weight：

106.17

Exact Mass：

106.17

UNII：

7TJ42SRP2Z

DSSTox ID：

DTXSID5073244

HScode：

2902199090

Characteristics

PSA：

XLogP3：

2.12000

Density：

0.860 g/cm³ @ Temp: 25 °C

Boiling Point：

145-146 °C

Flash Point：

85 °F

Refractive Index：

n20/D 1.496(lit.)

Storage Conditions：

2-8°C

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 3295 3/PG 3

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

16-26-36/37/39

Marks：

Precautionary statement(s)：

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

Hazard Statements：

H226

RIDADR：

UN 3295 3/PG 3

Caution Statement：

P261; P305 + P351 + P338

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-ethynylcyclohexene

Computed Properties

Molecular Weight:106.16
XLogP3:2.3
Rotatable Bond Count:1
Exact Mass:106.078250319
Monoisotopic Mass:106.078250319
Heavy Atom Count:8
Complexity:143
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route