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279951

Sigma-Aldrich

5-Methyl-1,3-cyclohexanedione

98%

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Linear Formula:
CH3C6H7(=O)2
CAS Number:
Molecular Weight:
126.15
Beilstein/REAXYS Number:
1099692
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

98%

mp

126-130 °C (lit.)

SMILES string

CC1CC(=O)CC(=O)C1

InChI

1S/C7H10O2/c1-5-2-6(8)4-7(9)3-5/h5H,2-4H2,1H3

InChI key

DMIIMPQQPXUKOO-UHFFFAOYSA-N

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This Item
D153303345482M37935
5-Methyl-1,3-cyclohexanedione 98%

279951

5-Methyl-1,3-cyclohexanedione

5,5-Dimethyl-1,3-cyclohexanedione 95%

D153303

5,5-Dimethyl-1,3-cyclohexanedione

2-Methyl-1,3-cyclohexanedione 97%

M37935

2-Methyl-1,3-cyclohexanedione

mp

126-130 °C (lit.)

mp

146-148 °C (lit.)

mp

-

mp

206-208 °C (lit.)

Application

5-Methyl-1,3-cyclohexanedione has been used in the synthesis of:
  • racemic (±)-fawcettimine
  • 3,6-dimethyl-2-phenylsulfanyl-3,5,6,7-tetrahydro-2H-benzofuran-4-one

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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Customers Also Viewed

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Ceric ammonium nitrate (CAN)-mediated oxidative cycloaddition of 1, 3-dicarbonyls to vinyl sulfides. Application to the synthesis of evodone and avicequinone-B.
Lee YR, et al.
Bull. Korean Chem. Soc., 23(10), 1477-1480 (2002)
Total synthesis of (+)-fawcettimine.
Xin Linghu et al.
Angewandte Chemie (International ed. in English), 46(40), 7671-7673 (2007-08-31)

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