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Molecule
Propylene Oxide
CAS: 75-56-9 · C3H6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75-56-9
- Molecular Formula
- C3H6O
- Molecular Mass
- 58.08 g/mol
Identifiers
CAS Registry Number
75-56-9
SMILES
CC1CO1
InChI Key
GOOHAUXETOMSMM-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
Names and Synonyms
- Propylene Oxide Common Name
- Oxirane, 2-methyl- Synonym
- Oxirane, methyl- Synonym
- Propylene oxide Synonym
- Propane, 1,2-epoxy- Synonym
- Oxypropylene Synonym
- 2-Methyloxirane Synonym
- 1,2-Epoxypropane Synonym
- Propene oxide Synonym
- 1,2-Propylene oxide Synonym
- Epoxypropane Synonym
- Methyloxirane Synonym
- 2,3-Epoxypropane Synonym
- Propylene epoxide Synonym
- AD 6 (suspending agent) Synonym
- AD 6 Synonym
- Methyloxacyclopropane Synonym
- Epihydrin Synonym
- dl-Propylene oxide Synonym
- DL-1,2-Epoxypropane Synonym
- (±)-Methyloxirane Synonym
- (±)-2-Methyloxirane Synonym
- (±)-Epoxypropane Synonym
- (±)-Propylene oxide Synonym
- (±)-1,2-Epoxypropane Synonym
- Propozone Synonym
- rac-Propylene oxide Synonym
- Chemogas NV Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 58.08 g/mol | CAS Common Chemistry |
| Density | 0.80 g/cm³ | CAS Common Chemistry |
| 0.8 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propylene_oxide | CAS Common Chemistry |
| Boiling Point | 34.23 °C | CAS Common Chemistry |
| Canonical SMILES | O1CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GOOHAUXETOMSMM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -112.13 °C | CAS Common Chemistry |
| Name | (±)-Propylene oxide | CAS Common Chemistry |
| Propylene oxide | CAS Common Chemistry | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 0.4051 | RDKit |
| Molar Refractivity | 15.414000000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 58.041864812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 58.08 g/mol; density = 0.800 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6O.
