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Methyl 5,5-dimethoxyvalerate - 96%, high purity , CAS No.23068-91-9

    Grade & Purity:
  • ≥96%
In stock
Item Number
M468113
Grouped product items
SKU Size
Availability
Price Qty
M468113-1g
1g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$721.90
M468113-5g
5g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$3,214.90

Basic Description

Synonyms J-014973 | Methyl 5,5-dimethoxypentanoate # | DTXSID60338851 | Methyl 5,5-dimethoxyvalerate | Methyl 5,5-dimethoxyvalerate, 96% | Pentanoic acid, 5,5-dimethoxy-, methyl ester | SCHEMBL1308174 | FT-0765803 | Methyl 5,5-bis(methyloxy)pentanoate | Methyl 5,5
Specifications & Purity ≥96%
Product Description

Description

Methyl 5,5-dimethoxyvalerate (methyl 5,5-dimethoxypentanoate) is an ester. It can be prepared by reacting methyl 5-oxopentanoate withp-toluene sulfonic acid and trimethylorthoformate. It participates in the synthesis of 1-palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphatidylcholine.Methyl 5,5-dimethoxyvalerate may be employed in the synthesis of seven-membered carbocycles. It may be used in the synthesis of 5-(phenylamino)-4-(phenylimino)methyl)-4-pentenoic acid derivatives.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Fatty Acyls
Subclass Fatty acid esters
Intermediate Tree Nodes Not available
Direct Parent Fatty acid methyl esters
Alternative Parents Methyl esters  Monocarboxylic acids and derivatives  Acetals  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aliphatic acyclic compounds
Substituents Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
External Descriptors Not available

Names and Identifiers

IUPAC Name methyl 5,5-dimethoxypentanoate
INCHI InChI=1S/C8H16O4/c1-10-7(9)5-4-6-8(11-2)12-3/h8H,4-6H2,1-3H3
InChIKey YOFAONQHOIRLCQ-UHFFFAOYSA-N
Smiles COC(CCCC(=O)OC)OC
Isomeric SMILES COC(CCCC(=O)OC)OC
WGK Germany 3
Molecular Weight 176.21
Reaxy-Rn 1766527
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1766527&ln=

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

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

Chemical and Physical Properties

Refractive Index n20/D 1.422(lit.)
Flash Point(°F) 145.4 °F
Flash Point(°C) 63 °C
Boil Point(°C) 70-72° C
Molecular Weight 176.210 g/mol
XLogP3 0.600
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 176.105 Da
Monoisotopic Mass 176.105 Da
Topological Polar Surface Area 44.800 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 120.000
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

Solution Calculators

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