| Identification | More | [Name]
Methyl trimethylacetate | [CAS]
598-98-1 | [Synonyms]
2,2-DIMETHYLPROPIONIC ACID METHYL ESTER
METHYL 2,2-DIMETHYLPROPIONATE
METHYL NEOPENTANOATE
METHYL PIVALATE
METHYL TRIMETHYLACETATE
Methyl trimethylaeetate
PIVALIC ACID METHYL ESTER
TRIMETHYLACETIC ACID METHYL ESTER
2,2-Dimethylpropanoic acid methyl ester
2,2-dimethyl-propanoicacimethylester
Propanoicacid,2,2-dimethyl-,methylester
tert-C4H9COOCH3
Methyltrimethylacetate,99%
pivalinic acid-methyl ester
Methylpivalat
Methyl 2,2-dimethylpropanoate
Methyl 2,2-dimethylpropionate, Methyl pivalate, Methyl trimethylacetate
Methyl 2,2-dimethylpropionate, Methyl trimethylacetate | [EINECS(EC#)]
209-959-1 | [Molecular Formula]
C6H12O2 | [MDL Number]
MFCD00008843 | [Molecular Weight]
116.16 | [MOL File]
598-98-1.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS LIQUID | [Melting point ]
<-70°C | [Boiling point ]
101 °C (lit.) | [density ]
0.873 g/mL at 25 °C(lit.)
| [vapor pressure ]
65 hPa (20 °C) | [refractive index ]
n20/D 1.390(lit.)
| [RTECS ]
UA2459597 | [Fp ]
44 °F
| [storage temp. ]
Flammables area | [solubility ]
15.0g/l | [form ]
Liquid | [color ]
Clear colorless | [Specific Heat Capacity]
Cp(liquid):257.9J/(g·K),at 25℃ | [BRN ]
1744141 | [Henry's Law Constant]
9.5×10-3 mol/(m3Pa) at 25℃, Plyasunov et al. (2004) | [InChI]
1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3 | [InChIKey]
CNMFHDIDIMZHKY-UHFFFAOYSA-N | [SMILES]
COC(=O)C(C)(C)C | [LogP]
1.830 | [CAS DataBase Reference]
598-98-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Propanoic acid, 2,2-dimethyl-, methyl ester(598-98-1) | [EPA Substance Registry System]
598-98-1(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS07 | [Signal word ]
Danger | [Hazard statements ]
H225-H302 | [Precautionary statements ]
P210-P233-P240-P241-P242-P301+P312 | [Hazard Codes ]
F | [Risk Statements ]
R11:Highly Flammable. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S9:Keep container in a well-ventilated place .
S33:Take precautionary measures against static discharges . | [RIDADR ]
UN 3272 3/PG 2
| [WGK Germany ]
1
| [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
29156090 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Flam. Liq. 2 | [Toxicity]
LD50 orally in Rabbit: 1563 mg/kg LD50 dermal Rat > 2000 mg/kg |
| Raw materials And Preparation Products | Back Directory | [Preparation Products]
Azetidine-->4-(Dicyanomethylene)-2-tert-butyl-6-(1,1,7,7-tetramethyljulolidin-4-yl-vinyl)-4H-pyran-->2,2,6,6-Tetramethyl-3,5-heptanedione-->(2,2-Dimethyl-propyl)-hydrazine-->Pivaloylacetonitrile-->2,2-Dimethylpropionic acid hydrazide-->N-(2-Hydroxyethyl)-2,2-dimethylpropanamide(WXC08449)-->2-tert-Butyl-1H-pyrrolo[2,3-c]pyridine |
| Questions And Answer | Back Directory | [Decomposition of methyl trimethylacetate]
Hydrogen bromide and hydrogen chloride catalyse the decomposition of methyl trimethylacetate into isobutene, carbon monoxide, and methanol at 370-442°C and 450-48O°C, respectively. The mechanism is as follows: during the catalytic decomposition of methyl trimethylacetate or its methyl ester, water or alcohol reacts with the intermediates in a manner similar to esterification; some of the resulting esters subsequently decompose into alkenes and acids[1]. |
| Hazard Information | Back Directory | [Description]
Methyl trimethylacetate(598-98-1) is a colorless liquid, the methyl ester of pivalic acid. The ester is well known for being resistant to hydrolysis to the parent acid. Hydrolysis can be effected with a solution of trimethylsilyl iodide in hot acetonitrile followed by aqueous workup. It is used to make vinyl chloride resins, as a chemical intermediate, and in adhesives, lubricants, greases, and fuel additives.
| [Chemical Properties]
CLEAR COLOURLESS LIQUID | [Uses]
Methyl Pivalate(598-98-1) is a useful chemical reagent for the preparation of esters and transesterification.
| [Application]
Methyl trimethylacetate(598-98-1) is used in the manufacture of vinyl chloride resins, as a chemical intermediate in the preparation of Ruxolitinib, and in adhesives, lubricants, greases and fuel additives. It is also utilised as a material for lithium-ion batteries or as a raw material for organic synthesis.
| [Hazard]
Methyl trimethylacetate is a highly flammable liquid and is harmful if swallowed. Prolonged exposure may lead to acute solvent syndrome, an occupational disease. | [References]
[1] J. Cross, V. S. (1968). Catalysis by hydrogen halides in the gas phase. XIV. Methyl trimethylacetate and hydrogen bromide and the effects of added alcohols. Australian Journal of Chemistry, 12 1, 687–699. https://doi.org/10.1071/CH9680687 |
|
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