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M39008

4-Methylcyclohexene

99%

Synonym(s):

1,2,3,6-Tetrahydrotoluene

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About This Item

Linear Formula:
C6H9CH3
CAS Number:
591-47-9
Molecular Weight:
96.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24896885
EC Number:
209-715-4
Beilstein/REAXYS Number:
1901299
MDL number:
MFCD00001573
Assay:
99%
Form:
liquid
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Quality Segment

100

assay

99%

form

liquid

refractive index

n20/D 1.441 (lit.)

bp

101-102 °C (lit.)

density

0.799 g/mL at 25 °C (lit.)

SMILES string

CC1CCC=CC1

InChI

1S/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3

InChI key

FSWCCQWDVGZMRD-UHFFFAOYSA-N

Application

4-Methylcyclohexene is used in the synthesis of an enantiomerically pure oxaliplatin derivative, {(1R,2R,4R)-4-Methyl-1,2-cyclohexanediamine}oxalatoplatinum(II), which exhibits good anticancer activity. It is also used in the preparation of N,N-diethyldithiocarbamate functionalized 1,4-polyisoprenes.

signalword

Danger

Hazard Classifications

Asp. Tox. 1 - Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

flash_point_f

19.4 °F - closed cup

flash_point_c

-7 °C - closed cup

ppe

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

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