Methyl pivalate
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Basic information
- CAS
598-98-1- Standard SMILES
COC(=O)C(C)(C)C- InChIKey
CNMFHDIDIMZHKY-UHFFFAOYSA-N- Molecular formula
- C6H12O2
- Average molar mass
- 116.16 g/mol
- Monoisotopic mass
- 116.08372962
Names & identifiers
- Preferred name
- Methyl pivalate
- IUPAC
- methyl 2,2-dimethylpropanoate
- English name
- Methyl trimethylacetate
- Molecular formula
- C6H12O2
- Molecular weight
- 116.16
Names & synonyms
Methyl pivalateMethyl trimethylacetate598-98-1methyl 2,2-dimethylpropanoatePropanoic acid, 2,2-dimethyl-, methyl esterPivalic acid, methyl esterDTXSID4027234MFCD00008843BFX9W386OXPIVALIC ACID METHYL ESTERUNII-BFX9W386OX2,2-Dimethylpropanoic acid methyl ester
Show more names
PivOMeMethylpivalatMethylPivalate>METHYL NEOPENTANOATEMethyl trimethylaeetate
methyl pivaloateTrimethylacetic Acid Methyl EsterEINECS 209-959-1tert-C4H9COOCH32,2-Dimethylpropionic Acid Methyl EsterSCHEMBL15138SCHEMBL15139CHEMBL32422
Database identifiers
- CAS
598-98-1- PubChem CID
- 69027
- DTXSID
DTXSID4027234- ChEMBL
CHEMBL32422- UNII
- BFX9W386OX
- EC Number
- 209-959-1
- Nikkaji
- J94.922A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 89.2
Experimental & physicochemical properties
SolventsSolvents -> Esters (<C12)
SpringerMaterials PropertiesChemical shift
Vapor Pressure33.9 [mmHg]
Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -70 °C · <-70°C
- Boiling point
- 101 °C · 101 °C (lit.)
- Density
- 0.873 g/mL · 0.873 g/mL at 25 °C (lit.)
- vapor pressure
- 65 hPa · 65 hPa (20 °C)
- RTECS
- 2459597 · UA2459597
- refractive index
- 20 · n20/D 1.390(lit.)
- Flash point
- 44 °F · 44 °F
- storage temp.
- 30 °C · Store below +30°C.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (98.2%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 57 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Propanoic acid, 2,2-dimethyl-, methyl ester
Methyl pivalate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMetabolized into the parent acid (2,2-dimethylpropanoic acid) and methanol; [EPA ChAMP: Hazard Characterization] See 2,2-Dimethylpropanoic acid and Methyl alcohol.
Hazard Classes and CategoriesFlam. Liq. 2 (98.2%)
Toxicology
Adverse EffectsNeurotoxin - Acute solvent syndrome
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 2
- hs_code
- 29156090
Chemistry & industry
Uses & manufacturing
Uses
Used to make vinyl chloride resins, as a chemical intermediate, and in adhesives, lubricants, greases, and fuel additives; [EPA ChAMP: Initial Risk-Based Prioritization]
Working with Glues and Adhesives [Category: Other]
General Manufacturing InformationPropanoic acid, 2,2-dimethyl-, methyl ester: ACTIVE
Applications
DescriptionMethyl trimethylacetate 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.
UsesMethyl Pivalate is a useful chemical reagent for the preparation of esters and transesterification.
Upstream & downstream products
Downstream products
Related reactions
26 records
Compound notes
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