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M39008

Sigma-Aldrich

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
Beilstein:
1901299
EC Number:
209-715-4
MDL number:
MFCD00001573
UNSPSC Code:
12352100
PubChem Substance ID:
24896885
NACRES:
NA.22

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.

Signal Word

Danger

Hazard Statements

H225,H304,H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

19.4 °F - closed cup

Flash Point(C)

-7 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis of N, N-diethyldithiocarbamate functionalized 1, 4-polyisoprene, from natural rubber and synthetic 1, 4-polyisoprene.
Derouet D, et al.
European Polymer Journal, 43(5), 1806-1824 (2007)
[(1 R, 2 R, 4 R)-4-methyl-1, 2-cyclohexanediamine] oxalatoplatinum (II): a novel enantiomerically pure oxaliplatin derivative showing improved anticancer activity in vivo.
Abramkin SA, et al.
Journal of Medicinal Chemistry, 53(20), 7356-7364 (2010)

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