75607

Trimethyl orthovalerate

purum, ≥97.0% (GC)

• Synonym(s): 1,1,1-Trimethoxypentane
• Linear Formula: CH₃CH₂CH₂CH₂C(OCH₃)₃
• CAS Number: 13820-09-2
• Molecular Weight: 162.23
• Beilstein: 1739200
• EC Number: 237-496-5
• MDL number: MFCD00008481
• UNSPSC Code: 12352100
• PubChem Substance ID: 329766163
• NACRES: NA.22

Properties

• grade: purum
• Assay: ≥97.0% (GC)
• form: liquid
• refractive index: n20/D 1.410 (lit.); n20/D 1.410
• bp: 164-166 °C (lit.)
• density: 0.941 g/mL at 25 °C (lit.)
• SMILES string: CCCCC(OC)(OC)OC
• InChI: 1S/C8H18O3/c1-5-6-7-8(9-2,10-3)11-4/h5-7H2,1-4H3
• InChI key: XUXVVQKJULMMKX-UHFFFAOYSA-N

Description

Application

Trimethyl orthovalerate is used in the synthesis of 1,2,4-triazolo[1,5-c]pyrimidine derivatives as human adenosine A₃ receptor ligands. It can also be used as a precursor to prepare N-sulfonyl and N-sulfinyl imines and imidates.

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H315,H319
• Precautionary Statements: P210 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 107.6 °F - closed cup
• Flash Point(C): 42 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves