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MilliporeSigma

129216

Sigma-Aldrich

Cyclohexylacetylene

98%

Synonym(s):

Ethynylcyclohexane

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About This Item

Linear Formula:
C6H11C≡CH
CAS Number:
931-48-6
Molecular Weight:
108.18
Beilstein/REAXYS Number:
1815535
EC Number:
213-236-6
MDL number:
MFCD00001513
UNSPSC Code:
12352100
PubChem Substance ID:
24847889
NACRES:
NA.22

Key Documents

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Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.4540 (lit.)

bp

130-132 °C (lit.)

density

0.828 g/mL at 25 °C (lit.)

SMILES string

C#CC1CCCCC1

InChI

1S/C8H12/c1-2-8-6-4-3-5-7-8/h1,8H,3-7H2

Inchi Key

SSDZYLQUYMOSAK-UHFFFAOYSA-N

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This Item
158011281999P9114
Cyclohexylacetylene 98%

Sigma-Aldrich

129216

Cyclohexylacetylene

Cyclopropylbenzene 97%

Sigma-Aldrich

158011

Cyclopropylbenzene

4-Bromobiphenyl 98%

Sigma-Aldrich

281999

4-Bromobiphenyl

6-(2-Propargyloxyphenyl)hexanoic acid ≥98%, solid

Sigma-Aldrich

P9114

6-(2-Propargyloxyphenyl)hexanoic acid

assay

98%

assay

97%

assay

98%

assay

≥98%

Quality Level

100

Quality Level

-

Quality Level

100

Quality Level

200

bp

130-132 °C (lit.)

bp

173.6 °C/753 mmHg (lit.)

bp

310 °C (lit.)

bp

-

form

liquid

form

liquid

form

solid

form

solid

density

0.828 g/mL at 25 °C (lit.)

density

0.94 g/mL at 25 °C (lit.)

density

-

density

-

refractive index

n20/D 1.4540 (lit.)

refractive index

n20/D 1.533 (lit.)

refractive index

-

refractive index

-

General description

Cyclohexylacetylene (Ethynylcyclohexane) mediates NADPH-dependent loss of cytochrome P-450 on incubation with hepatic microsomes[1].

Application

Cyclohexylacetylene (Ethynylcyclohexane) was used in the preparation of [Os[(E)-CH=CHR](=C=C=CPh2)(CH3CN)2(P(i)Pr3)2]BF4 (R = Ph, Cy)[2].

Pictograms

Flame
GHS02

signalword

Danger

hcodes

H225

Hazard Classifications

Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

64.4 °F - closed cup

flash_point_c

18 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ6916
MKCV7790
MKCQ9730
MKCR3443
MKCP3950

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Tamara Bolaño et al.
Journal of the American Chemical Society, 128(12), 3965-3973 (2006-03-23)
Treatment in acetonitrile at -30 C of the hydride-alkenylcarbyne complex [OsH([triple bond]CCH=CPh2)(CH3CN)2(P(i)Pr3)2][BF4]2 (1) with (t)BuOK produces the selective deprotonation of the alkenyl substituent of the carbyne and the formation of the bis-solvento hydride-allenylidene derivative [OsH(=C=C=CPh2)(CH3CN)2(P(i)Pr3)2]BF4 (2), which under carbon monoxide
Self-catalyzed inactivation of hepatic cytochrome P-450 by ethynyl substrates.
P R Ortiz de Montellano et al.
The Journal of biological chemistry, 255(12), 5578-5585 (1980-06-25)

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