405817

Methyl 5,5-dimethoxyvalerate

96%

• Linear Formula: (CH₃O)₂CH(CH₂)₃CO₂CH₃
• CAS Number: 23068-91-9
• Molecular Weight: 176.21
• MDL number: MFCD00192288
• UNSPSC Code: 12352100
• PubChem Substance ID: 24865333
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 96%
• form: liquid
• refractive index: n20/D 1.422 (lit.)
• bp: 70-72 °C/2 mmHg (lit.)
• density: 1.012 g/mL at 25 °C (lit.)
• functional group: acetal; ester; ether
• SMILES string: COC(CCCC(=O)OC)OC
• InChI: 1S/C8H16O4/c1-10-7(9)5-4-6-8(11-2)12-3/h8H,4-6H2,1-3H3
• InChI key: YOFAONQHOIRLCQ-UHFFFAOYSA-N

Description

General description

Methyl 5,5-dimethoxyvalerate (methyl 5,5-dimethoxypentanoate) is an ester. It can be prepared by reacting methyl 5-oxopentanoate with p-toluene sulfonic acid and trimethylorthoformate. It participates in the synthesis of 1-palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphatidylcholine.

Application

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.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 145.4 °F - closed cup
• Flash Point(C): 63 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves