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1，1-dimethoxybutane - ≥95%, high purity , CAS No.4461-87-4

COA

Grade & Purity:

≥95%

Cas Number: 4461-87-4
Molecular Weight: 118.17
PubChem CID: 138260

In stock

Item Number

D695783

Grouped product items
SKU	Size	Availability	Price	Qty
D695783-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,892.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Ethers

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Not available
Direct Parent	Acetals
Alternative Parents	Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acetal - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as acetals. These are compounds having the structure R2C(OR')2 ( R' not Hydrogen) and thus diethers of geminal diols. Originally, the term was confined to derivatives of aldehydes (one R = H), but it now applies equally to derivatives of ketones (neither R = H ). Mixed acetals have different R' groups.
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	1,1-dimethoxybutane
INCHI	InChI=1S/C6H14O2/c1-4-5-6(7-2)8-3/h6H,4-5H2,1-3H3
InChIKey	DZKUKLGGGNLHNY-UHFFFAOYSA-N
Smiles	CCCC(OC)OC
Isomeric SMILES	CCCC(OC)OC
PubChem CID	138260
Molecular Weight	118.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	118.170 g/mol
XLogP3	1.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	118.099 Da
Monoisotopic Mass	118.099 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	41.800
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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1，1-dimethoxybutane - ≥95%, high purity , CAS No.4461-87-4

Basic Description