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Safety Information

215570

Sigma-Aldrich

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

95%

Synonym(s):

3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one

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About This Item

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

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

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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

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

215570-BULK:
215570-1G:
215570-VAR:
215570-10G:

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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V J Ram et al.
The Journal of organic chemistry, 66(16), 5333-5337 (2001-08-04)
An innovative approach to the one-pot synthesis of highly functionalized 3,4-dihydro-1H-isothiochromenes (3), 6H-benzo[c]thiochromenes (5, 6), 6H-benzo[c]chromenes (8), and 2,3-dihydro-1-benzothiophenes (10, 11) is delineated from the reaction of a suitably functionalized 6-aryl-3-carbomethoxy-4-methylthio-2H-pyran-2-one (1) and a carbanion generated from tetrahydrothiopyran-4-one, 4-thiochromanone, 4-chromanone

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