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CN

111015

Methylenecyclohexane

98%

Synonym(s):

1-Methylenecyclohexane

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About This Item

Linear Formula:
C6H10(=CH2)
CAS Number:
Molecular Weight:
96.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
214-752-4
Beilstein/REAXYS Number:
773760
MDL number:
Assay:
98%
Form:
liquid
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Quality Level

assay

98%

form

liquid

refractive index

n20/D 1.449 (lit.)

bp

102-103 °C (lit.)

density

0.8 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

C=C1CCCCC1

InChI

1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2

InChI key

YULMNMJFAZWLLN-UHFFFAOYSA-N

General description

Methylenecyclohexane ring is obtained by 1,4-addition of 4-pentenylmagnesium bromide to 2-cyano-2-cycloalkenones followed by a Pd(II)-mediated oxidative cyclization. It undergoes gas phase ozonolysis to form secondary organic aerosol (SOA).


pictograms

FlameHealth hazard

signalword

Danger

hcodes

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

28.4 °F - closed cup

flash_point_c

-2 °C - closed cup

ppe

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

Regulatory Information

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Conny Müller et al.
Electrophoresis, 28(9), 1364-1370 (2007-03-21)
The composition of secondary organic aerosol (SOA) from the gas phase ozonolysis of methylenecyclohexane was analyzed in a series of indoor aerosol chamber experiments. Capillary electrophoresis-electrospray ionization-ion trap mass spectrometry (CE/ESI-ITMS) was used for qualitative and quantitative analysis of SOA
Min-Tsang Hsieh et al.
Organic & biomolecular chemistry, 10(23), 4609-4617 (2012-05-15)
A highly efficient annulative approach towards the construction of the structurally attractive methylenecyclohexane ring was developed through a convenient 1,4-addition of 4-pentenylmagnesium bromide to 2-cyano-2-cycloalkenones followed by a Pd(II)-mediated oxidative cyclization of the resulting ω-unsaturated α-cyano ketones. Based on this



Global Trade Item Number

SKUGTIN
111015-1G04061838698476
111015-5G04061837330872