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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 Weight:
58.08 g/mol
Names and Synonyms:
Propylene Oxide
Chemogas NV
rac-Propylene oxide
Propozone
(±)-1,2-Epoxypropane
(±)-Propylene oxide
(±)-Epoxypropane
(±)-2-Methyloxirane
(±)-Methyloxirane
DL-1,2-Epoxypropane
dl-Propylene oxide
Epihydrin
Methyloxacyclopropane
AD 6
AD 6 (suspending agent)
Propylene epoxide
2,3-Epoxypropane
Methyloxirane
Epoxypropane
1,2-Propylene oxide
Propene oxide
1,2-Epoxypropane
2-Methyloxirane
Oxypropylene
Propane, 1,2-epoxy-
Propylene oxide
Oxirane, methyl-
Oxirane, 2-methyl-
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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 58.08 g/mol | RDKit |
| Exact | Exact Molecular Weight | 58.041864812 g/mol | RDKit |
| Heavy | Heavy Atom Count | 4 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 12.53 Ų | RDKit |
| Physical Properties | LogP | 0.4051 | RDKit |
| molecular_mass | 58.08 g/mol | Legacy Database | |
| density | 0.80 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Propylene_oxide | Legacy Database | |
| cas-boiling-point | 34.23 °C | Legacy Database | |
| cas-canonical-smile | O1CC1C | Legacy Database | |
| cas-density | 0.8 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3 | Legacy Database | |
| cas-inchi-key | InChIKey=GOOHAUXETOMSMM-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -112.13 °C | Legacy Database | |
| cas-name | (±)-Propylene oxide | Legacy Database | |
| wikipedia-name | Propylene oxide | Legacy Database | |
| Molar | Molar Refractivity | 15.414000000000001 | RDKit |
