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Safety Information

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

Quality Level

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

Related Categories

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

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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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