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About This Item
Linear Formula:
CH3C6H7(=O)2
CAS Number:
Molecular Weight:
126.15
Beilstein:
1099692
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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![5-[4-(Methoxyphenyl)]-1,3-cyclohexanedione 96%](/deepweb/assets/sigmaaldrich/product/structures/299/798/407d7b0b-fc65-4fd6-94b7-4f54f53f191c/640/407d7b0b-fc65-4fd6-94b7-4f54f53f191c.png)
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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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
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
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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