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A10776 Trimethylacetic acid, 99%

CAS Number
75-98-9
Synonyms
2,2-Dimethylpropionic acid
Pivalic acid

Stock No. Size Price ($) Quantity Availability
A10776-36 500g 45.70
A10776-0E 2500g 166.00
A10776-0C 10000g 546.00
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Trimethylacetic acid, 99%

MDL
MFCD00004194
EINECS
200-922-5

Chemical Properties

Formula
(CH3)3CCO2H
Formula Weight
102.13
Melting point
31-35°
Boiling Point
163-165°
Flash Point
63°(145°F)
Density
0.91
Storage & Sensitivity
Ambient temperatures.
Solubility
Soluble in alcohol, ether. Slightly soluble in water

Applications

Trimethylacetic acid can be used as an internal chemical-shift standard for NMR of aqueous solutions. It is a metabolite of oral cephem (β-lactam) antibiotics such as S-1108, containing pivaloyl moieties.

Notes

Stable under recommended storage conditions. Incompatible with oxidizing agents and bases.

Literature References

S.Albert; H.S.Gutowsky; J.A.Ripmeester. NMR investigations of solid (CH3)3CCOOH (trimethylacetic acid) and (CH3)3CCOOD. J. Chem. Phys. 1976, 64, (8),3277

 

Alfred L.Miller; Newell C.Cook; Frank C.Whitmore. The Ketonic Decarboxylation Reaction1: The Ketonic Decarboxylation of Trimethylacetic Acid2 and Isobutyric Acid. J. Am. Chem. Soc. 1950, 72, (6),2732-2735

In the presence of an Ag(II) species (from silver nitrate and ammonium persulfate in TFA), tert-butyl radicals are generated. With quinoline, the 2-tert-butyl substituted derivative is formed in high yield: Tetrahedron, 46, 2525 (1990), whereas for most other carboxylic acids, both 2- and 4-substitution usually occur.

GHS Hazard and Precautionary Statements

Hazard Statements: H302-H311-H314

Harmful if swallowed. Toxic in contact with skin. Causes severe skin burns and eye damage.

Precautionary Statements: P260-P264b-P270-P280-P301+P312-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P363-P501c

Do not breathe dust/fume/gas/mist/vapours/spray. Wash face, hands and any exposed skin thoroughly after handling Do not eat, drink or smoke when using this product. Wear protective gloves/protective clothing/eye protection/face protection. IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Wash contaminated clothing before reuse. Dispose of contents/ container to an approved waste disposal plant

Other References

Merck
14,7511
Beilstein
969480
Hazard Class
8
Packing Group
III
Harmonized Tariff Code
2915.90
TSCA
Yes
RTECS
TO7700000

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