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1-Ethynylcyclohexanol

1-Ethynylcyclohexanol structure

CAS No:
78-27-3
Formula:
C8H12O
Chemical Name:
1-Ethynylcyclohexanol
Synonyms:
Cyclohexanol,1-ethynyl-;1-Ethynylcyclohexanol;1-Ethynyl-1-cyclohexanol;(1-Hydroxycyclohexyl)ethyne;1-Ethynyl-1-hydroxycyclohexane;Ethynylcyclohexanol;1-Hydroxy-1-ethynylcyclohexane;(1-Hydroxycyclohexyl)acetylene;NSC 8194;DX 3022;1-Ethynylcyclohexanal;1612287-66-7
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Colorless liquid

OtherSolid

1-Ethynylcyclohexanol Basic Attributes

Molecular Weight：

124.18

Exact Mass：

124.18

EC Number：

249-123-3

UNII：

6RV04025EH

NSC Number：

8194

DSSTox ID：

DTXSID0021757

HScode：

2906199090

Characteristics

PSA：

20.2

XLogP3：

1.7

Appearance：

OtherSolid

Density：

0.9809 g/cm³ @ Temp: 20 °C

Melting Point：

31.5 °C

Boiling Point：

174 °C

Flash Point：

62.8±0.0 °C

Refractive Index：

1.494

Water Solubility：

10 g/L (20 ºC)

Storage Conditions：

2-8ºC

Vapor Pressure：

<1 mm Hg ( 20 °C)

Toxicity：

LD50 orally in Rabbit: 583 mg/kg LD50 dermal Rabbit 973 mg/kg

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

2810

wgk germany：

hazard class code：

6.1

safety instructions：

S36/37-S36/37/39-S26

RTECS Number：

GV9100000

Marks：

Xn:Harmful

Precautionary statement(s)：

P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (99.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, and P501|Aggregated GHS information provided by 202 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Ethynylcyclohexanol Use and Manufacturing

Uses

Stabilization of chlorinated organic compounds, intermediate, corrosion inhibitor for mineral acids, medicine (sedative).

Manufacturing Info：

Plastic material and resin manufacturing|Cyclohexanol, 1-ethynyl-: ACTIVE

Computed Properties

Molecular Weight:124.18
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:124.088815002
Monoisotopic Mass:124.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:134
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1-Ethynylcyclohexanol

Guangzhou Yaoguang Technology Co., Ltd. Contact Supplier

CN
6 YRS

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CAS No.: 78-27-3

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Shaanxi Cuikang Pharmaceutical Technolog Contact Supplier

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1-Ethynyl-1-hydroxycyclohexane

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Grade: Industrial Grade

Content: 98%

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Shandong Ailike New Material Technology Contact Supplier

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Hebei Longbang Technology Co., Ltd Contact Supplier

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Cas no. 78-27-3 1-Ethynyl-1-cyclohexanol used as an organic intermediate, Addition silicone rubber inhibitor

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