111015
Methylenecyclohexane
98%
Synonym(s):
1-Methylenecyclohexane
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About This Item
Linear Formula:
C6H10(=CH2)
CAS Number:
Molecular Weight:
96.17
Beilstein/REAXYS Number:
773760
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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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).
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Danger
hcodes
Hazard Classifications
Asp. Tox. 1 - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk_germany
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
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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
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
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