254517

Trimethyl orthovalerate

97%

• Synonym(s): 1,1,1-Trimethoxypentane
• Linear Formula: CH₃CH₂CH₂CH₂C(OCH₃)₃
• CAS Number: 13820-09-2
• Molecular Weight: 162.23
• Beilstein/REAXYS Number: 1739200
• EC Number: 237-496-5
• MDL number: MFCD00008481
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855389
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: 97%
• refractive index: n20/D 1.410 (lit.)
• bp: 164-166 °C (lit.)
• density: 0.941 g/mL at 25 °C (lit.)
• functional group: ether
• 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

General description

Kinetics of unimolecular gas-phase elimination of trimethyl orthovalerate has been investigated[1].

Application

Trimethyl orthovalerate has been used in the preparation of:

• various 9-O-acyl derivatives of N-acetyl- and N-glycoloyl-neuraminic acid[2]
• 2-methyl, 2-ethyl, 2-propyl and 2-butyl-3-benzimidazolyl-4(3H)-quinazolinones[3]

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H315,H319
• pcodes: P210 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 107.6 °F - closed cup
• flash_point_c: 42 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter