Molecule
Acetic Acid
CAS: 64-19-7 · C2H4O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 64-19-7
- Molecular Formula
- C2H4O2
- Molecular Mass
- 60.05 g/mol
Identifiers
CAS Registry Number
64-19-7
SMILES
CC(=O)O
InChI Key
QTBSBXVTEAMEQO-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
Names and Synonyms
- Acetic Acid Common Name
- Acetic acid Synonym
- Ethanoic acid Synonym
- Ethylic acid Synonym
- Glacial acetic acid Synonym
- Methanecarboxylic acid Synonym
- Vinegar acid Synonym
- Ethanoic acid monomer Synonym
- Aci-Jel Synonym
- E 260 Synonym
- NSC 111201 Synonym
- NSC 112209 Synonym
- NSC 115870 Synonym
- NSC 127175 Synonym
- NSC 132953 Synonym
- NSC 406306 Synonym
- Munger Horticultural Vinegar Plus Synonym
- Weed Pharm Synonym
- Engage Agro Synonym
- HACP 85 Synonym
- Acetic acids Synonym
- Cedrosa Synonym
- Acetic acid HAC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 60.05 g/mol | CAS Common Chemistry |
| 60.05200000000001 g/mol | RDKit | |
| 60.052 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0446 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acetic_acid | CAS Common Chemistry |
| Boiling Point | 117.9 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 16.6 °C | CAS Common Chemistry |
| Name | Acetic acid | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 0.09089999999999993 | RDKit |
| 0.0909 | RDKit | |
| Molar Refractivity | 13.309800000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 60.021129368000004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 60.05 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
Synthesis
Reactions involving this molecule
Curated and imported reactions where this compound appears as a reactant, catalyst, solvent, or product. Calc-ready entries open the Reaction Scale Calculator pre-anchored on this molecule at 10 mmol; the rest go to the procedure overview.
Related
Related molecules
Other compounds with formula C2H4O2.
