262404

Methyl 4,4-dimethyl-3-oxopentanoate

99%

• Synonym(s): Methyl pivaloylacetate
• Linear Formula: (CH₃)₃CCOCH₂CO₂CH₃
• CAS Number: 55107-14-7
• Molecular Weight: 158.19
• EC Number: 259-481-2
• MDL number: MFCD00008847
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855877
• NACRES: NA.22

Properties

• vapor pressure: 0.4 mmHg ( 20 °C)
• Quality Level: 100
• assay: 99%
• refractive index: n20/D 1.487 (lit.)
• bp: 67-70 °C/13 mmHg (lit.)
• density: 0.99 g/mL at 25 °C (lit.)
• functional group: ester; ketone
• SMILES string: COC(=O)CC(=O)C(C)(C)C
• InChI: 1S/C8H14O3/c1-8(2,3)6(9)5-7(10)11-4/h5H2,1-4H3
• InChI key: XTXCFTMJPRXBBC-UHFFFAOYSA-N

Description

Application

Methyl 4,4-dimethyl-3-oxopentanoate has been used:

• as substarte during InCl₃-catalyzed syntheses of some new dibenzo(d,f)(1,3)dioxepines and 12H-dibenzo(d,g)(1,3)dioxocin derivatives
• in the preparation of neat α-oxoketene, carbomethoxypivaloylketene

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: 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: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 170.6 °F - closed cup
• flash_point_c: 77 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter