Methyl pivalate

CAS 598-98-1  ·  C6H12O2  ·  MW 116.16 g/mol

Full record: Methyl pivalate — Safety Data Sheet →

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3D model Methyl pivalate, CAS 598-98-1, molecular formula C6H12O2, molar mass 116.16 g/mol

Model views

  • Methyl pivalate (CAS 598-98-1) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Methyl pivalate (CAS 598-98-1) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Methyl pivalate (CAS 598-98-1) – 2D structure, MolGod Viewer
    2D structure

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About Methyl pivalate

Methyl pivalate is a chemical compound registered under number CAS 598-98-1, with the molecular formula C6H12O2, and a molar mass of 116.16 g/mol.

The molecule contains 20 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is methyl 2,2-dimethylpropanoate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.8 (positive value, a lipophilic compound), polar surface area PSA = 26.3 Ų, 0 donors and 2 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC6H12O2
Molar mass116.16 g/mol
IUPACmethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC
InChIKeyCNMFHDIDIMZHKY-UHFFFAOYSA-N
logP (XLogP3)1.8
PSA26.3 Ų
HBD / HBA0 / 2
PubChem CIDCID 69027 ↗
GHS safety

Signal word: Danger

GHS02
GHS02

H225 — Highly flammable liquid and vapour

Scientific literature

Brak articles naukowych dla CAS 598-98-1 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
Methyl pivalate · Methyl trimethylacetate · 598-98-1 · methyl 2,2-dimethylpropanoate · Propanoic acid, 2,2-dimethyl-, methyl ester · Pivalic acid, methyl ester · MFCD00008843 · BFX9W386OX · PIVALIC ACID METHYL ESTER · UNII-BFX9W386OX · 2,2-Dimethylpropanoic acid methyl ester · methyl pivaloate · Trimethylacetic Acid Methyl Ester · EINECS 209-959-1 · tert-C4H9COOCH3
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Methyl pivalate · 598-98-1
InChIKey
CNMFHDIDIMZHKY-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Methyl pivalate (CAS 598-98-1)
License & provenance record
Methyl pivalate (CAS 598-98-1) →
MolGod molecule record
Methyl pivalate →
Source data
PubChem CID 69027 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
ddb8e4d45ff46ceacd2c49f683cbc23da3c81b1a61ca0058c66874bd8c85a0d7
MD5 (STL)
5fc9300eb105e3b544fbe290885ef728
MolGod Identification Number
MG_393-878-629-72
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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