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Propylene Oxide
CAS: 75-56-9 | C3H6O
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
75-56-9
Molecular Formula:
C3H6O
Molecular Weight:
58.08 g/mol
Names and Synonyms:
Propylene Oxide
Common Name
Chemogas NV
Synonym
rac-Propylene oxide
Synonym
Propozone
Synonym
(±)-1,2-Epoxypropane
Synonym
(±)-Propylene oxide
Synonym
(±)-Epoxypropane
Synonym
(±)-2-Methyloxirane
Synonym
(±)-Methyloxirane
Synonym
DL-1,2-Epoxypropane
Synonym
dl-Propylene oxide
Synonym
Epihydrin
Synonym
Methyloxacyclopropane
Synonym
AD 6
Synonym
AD 6 (suspending agent)
Synonym
Propylene epoxide
Synonym
2,3-Epoxypropane
Synonym
Methyloxirane
Synonym
Epoxypropane
Synonym
1,2-Propylene oxide
Synonym
Propene oxide
Synonym
1,2-Epoxypropane
Synonym
2-Methyloxirane
Synonym
Oxypropylene
Synonym
Propane, 1,2-epoxy-
Synonym
Propylene oxide
Synonym
Oxirane, methyl-
Synonym
Oxirane, 2-methyl-
Synonym
Identifiers:
SMILES:
CC1CO1
InChI:
InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Failed to fetch
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 58.08 g/mol | Legacy Database |
| density | 0.80 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Propylene_oxide None | Legacy Database |
| cas-boiling-point | 34.23 °C None | Legacy Database |
| cas-canonical-smile | O1CC1C None | Legacy Database |
| cas-density | 0.8 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=GOOHAUXETOMSMM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -112.13 °C None | Legacy Database |
| cas-name | (±)-Propylene oxide None | Legacy Database |
| wikipedia-name | Propylene oxide None | Legacy Database |
| LogP | 0.4051 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 58.08 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 58.041864812 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 12.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.414000000000001 | RDKit |