Trimethylacetic acid, 99%

Description

CAS: 75-98-9 | C5H10O2 | 102.133 g/mol

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

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.

Solubility
Soluble in alcohol, ether. Slightly soluble in water

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

Specifications

Chemical Identifiers

• CAS: 75-98-9
• Molecular Formula: C5H10O2
• Molecular Weight (g/mol): 102.133
• MDL Number: MFCD00004194
• InChI Key: IUGYQRQAERSCNH-UHFFFAOYSA-N
• Synonym: pivalic acid, trimethylacetic acid, neopentanoic acid, 2,2-dimethylpropionic acid, tert-pentanoic acid, propanoic acid, 2,2-dimethyl, versatic 5, kyselina pivalova, acetic acid, trimethyl, alpha,alpha-dimethylpropionic acid
• PubChem CID: 6417
• ChEBI: CHEBI:45133
• IUPAC Name: 2,2-dimethylpropanoic acid
• SMILES: CC(C)(C)C(=O)O

• Melting Point: 31°C to 35°C
• Density: 0.91
• Boiling Point: 163°C to 165°C
• Flash Point: 63°C (145°F)
• Odor: Pungent
• Quantity: 500 g
• UN Number: UN3261
• Beilstein: 969480
• Merck Index: 14,7511
• Solubility Information: Soluble in alcohol, ether; Slightly soluble in water
• Formula Weight: 102.13
• Percent Purity: 99%
• Chemical Name or Material: Trimethylacetic acid

Safety and Handling

Hazard Category	H302-H311-H314
Hazard Statement	GHS H Statement H314-H318-H302-H312 Causes severe skin burns and eye damage. Causes serious eye damage. Harmful if swallowed. Harmful in contact with skin.
Precautionary Statement	P260-P264b-P270-P280-P301+P312-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P363-P501c
DOTInformation	Transport Hazard Class: 8; Packing Group: III; Proper Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
EINECSNumber	200-922-5
RTECSNumber	TO7700000
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only