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Peracetic Acid
CAS: 79-21-0 | C2H4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79-21-0
Molecular Formula:
C2H4O3
Molecular Mass:
76.05 g/mol
Names and Synonyms:
Peracetic Acid
Ethaneperoxoic acid
Peroxyacetic acid
Acetyl hydroperoxide
Hydroperoxide, acetyl
Peracetic acid
Osbon AC
Monoperacetic acid
Peroxoacetic acid
Acetic peroxide
Desoxon 1
Proxitane 4002
Estosteril
Perethanoic acid
Proxitane S
Proxitane 12A
Proxitane 1507
Oxypel
LCAP
Ozonit
Oxigreen 010
Tsunami 100
Tsunami
Proxitane 15
Peresal
Peraclean Ocean
Perasafe
Agrosteril 110
Steridial P
Percidin 535
Acecide
Proxitane 5
Proxitane 1512
Agrosteril 110SL
Synergize P 22
Incimaxx Aqua S
PES 15/23
Steris 20
Tsunami 200
EnviroSan
Proxitane Alfa
Peraclean 35
Redoxx 60
Peraclean 15
CaiBingLing
Paraclean
Identifiers:
SMILES:
CC(=O)OO
InChI:
InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3
Key Properties
Boiling Point
105 °C
CAS Common Chemistry
Melting Point
-0.2 °C
CAS Common Chemistry
Density
1.23 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 76.05 g/mol | CAS Common Chemistry |
| 76.051 g/mol | RDKit | |
| 76.016043988 g/mol | RDKit | |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.226 g/cm3 @ Temp: 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Peracetic_acid | CAS Common Chemistry |
| Boiling Point | 105 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OO)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KFSLWBXXFJQRDL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -0.2 °C | CAS Common Chemistry |
| Name | Peracetic acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 0.02249999999999991 | RDKit |
| Molar Refractivity | 14.3948 | RDKit |
