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Limonene Dioxide
CAS: 96-08-2 | C10H16O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
96-08-2
Molecular Formula:
C10H16O2
Molecular Mass:
168.24 g/mol
Names and Synonyms:
Limonene Dioxide
7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyl-2-oxiranyl)-
p-Menthane, 1,2:8,9-diepoxy-
7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyloxiranyl)-
1-Methyl-4-(2-methyl-2-oxiranyl)-7-oxabicyclo[4.1.0]heptane
1,2,8,9-Diepoxylimonene
Dipentene dioxide
Epoxide 269
Limonene dioxide
Unoxat Epoxide 269
Unox 269
α-Limonene diepoxide
1,2:8,9-Diepoxy-p-menthane
Dipentene diepoxide
1,2-Epoxy-1-methyl-4-(1-methylepoxyethyl)cyclohexane
Unox Epoxide 269
Dipentene oxide
Limonene diepoxide
Diepoxylimonene
NSC 30545
NSC 54753
1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane
C 3000
Limonene 1,2:8,9-diepoxide
Seroxide 3000
1,2-Epoxy-4-(2-methyloxiranyl)-1-methylcyclohexane
C 3000 monomer
Identifiers:
SMILES:
CC1(C2CCC3(C)OC3C2)CO1
InChI:
InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3
Key Properties
Boiling Point
242 °C
CAS Common Chemistry
Density
1.03 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 | 168.24 g/mol | CAS Common Chemistry |
| 168.23599999999996 g/mol | RDKit | |
| 168.115029752 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.0287 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 242 °C | CAS Common Chemistry |
| Canonical SMILES | O1CC1(C)C2CCC3(OC3C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16O2/c1-9-4-3-7(5-8(9)12-9)10(2)6-11-10/h7-8H,3-6H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RBHIUNHSNSQJNG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Limonene dioxide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 25.06 Ų | RDKit |
| LogP | 1.7329 | RDKit |
| Molar Refractivity | 44.97600000000002 | RDKit |
