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1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal) - 96%, high purity , CAS No.69225-59-8

COA

Grade & Purity:

≥96%

Cas Number: 69225-59-8
Molecular Weight: 198.26
Beilstein Registry Number: 3541930
EC Number: 273-918-4
PubChem CID: 587968
PubChem SID: 504759388

In stock

Item Number

C563682

Grouped product items
SKU	Size	Availability	Price
C563682-1g	1g	5	$19.90
C563682-5g	5g	5	$53.90
C563682-25g	25g	5	$123.90
C563682-100g	100g	4	$434.90

Basic Description

Synonyms	69225-59-8 \| 3,3-Dimethyl-1,5-dioxaspiro[5.5]undecan-9-one \| 1,4-Cyclohexanedione mono(2,2-dimethyltrimethylene ketal) \| 1,4-Cyclohexanedione Mono-2,2-dimethyltrimethylene Ketal \| 3,3-Dimethyl-1,5-dioxaspiro(5.5)undecan-9-one \| 1,5-Dioxaspiro[5.5]undecan-9-one, 3,3
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Ethers
      - Level5 Acetals
        Level6 Ketals

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Acetals
Direct Parent	Ketals
Alternative Parents	1,3-dioxanes Cyclic ketones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Ketal - Meta-dioxane - Cyclic ketone - Ketone - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504759388
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759388
IUPAC Name	3,3-dimethyl-1,5-dioxaspiro[5.5]undecan-9-one
INCHI	InChI=1S/C11H18O3/c1-10(2)7-13-11(14-8-10)5-3-9(12)4-6-11/h3-8H2,1-2H3
InChIKey	COKVDTKAWIFNTH-UHFFFAOYSA-N
Smiles	CC1(COC2(CCC(=O)CC2)OC1)C
Isomeric SMILES	CC1(COC2(CCC(=O)CC2)OC1)C
WGK Germany	3
Molecular Weight	198.26
Beilstein	3541930
Reaxy-Rn	3541930
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3541930&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
C2318983	Certificate of Analysis	Mar 24, 2023	C563682
C2318984	Certificate of Analysis	Mar 24, 2023	C563682
C23181064	Certificate of Analysis	Mar 24, 2023	C563682
C2318989	Certificate of Analysis	Mar 24, 2023	C563682
C23181065	Certificate of Analysis	Mar 24, 2023	C563682
C23181066	Certificate of Analysis	Mar 24, 2023	C563682
C23181067	Certificate of Analysis	Mar 24, 2023	C563682
C2318990	Certificate of Analysis	Mar 24, 2023	C563682

Chemical and Physical Properties

Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Melt Point(°C)	51°C
Molecular Weight	198.260 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	198.126 Da
Monoisotopic Mass	198.126 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	223.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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