215570

1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal)

95%

• Synonym(s): 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one
• Empirical Formula (Hill Notation): C₁₁H₁₈O₃
• CAS Number: 69225-59-8
• Molecular Weight: 198.26
• EC Number: 273-918-4
• MDL number: MFCD00006652
• UNSPSC Code: 12352100
• PubChem Substance ID: 24852904

Properties

• Assay: 95%
• form: solid
• mp: 45-50 °C (lit.)
• SMILES string: CC1(C)COC2(CCC(=O)CC2)OC1
• InChI: 1S/C11H18O3/c1-10(2)7-13-11(14-8-10)5-3-9(12)4-6-11/h3-8H2,1-2H3
• InChI key: COKVDTKAWIFNTH-UHFFFAOYSA-N

Description

Application

1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal) has been used in the synthesis of:

• 3,4-dihydro-2(1H)-naphthalenones via carbainion induced reaction
• 8-aryl-5-cyano-6-sec-amino-3,4-dihydro-2(1H)-naphthalenone-(2,2-dimethyltrimethylene)ketals

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves