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2，2-Dimethyl-1，3-dioxan-5-ol - ≥97%, high purity , CAS No.3391-30-8

COA

Grade & Purity:

≥97%

Cas Number: 3391-30-8
Molecular Weight: 132.16
PubChem CID: 11029884

In stock

Item Number

D725433

Grouped product items
SKU	Size	Availability	Price	Qty
D725433-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$143.90
D725433-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$512.90

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 Secondary alcohols Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Ketal - Meta-dioxane - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Aliphatic heteromonocyclic 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

IUPAC Name	2,2-dimethyl-1,3-dioxan-5-ol
INCHI	InChI=1S/C6H12O3/c1-6(2)8-3-5(7)4-9-6/h5,7H,3-4H2,1-2H3
InChIKey	CGNOMSJAJQUXAT-UHFFFAOYSA-N
Smiles	CC1(OCC(CO1)O)C
Isomeric SMILES	CC1(OCC(CO1)O)C
PubChem CID	11029884
Molecular Weight	132.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	132.160 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	132.079 Da
Monoisotopic Mass	132.079 Da
Topological Polar Surface Area	38.700 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	90.500
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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