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Molecule
Limonene Dioxide
CAS: 96-08-2 · C10H16O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 96-08-2
- Molecular Formula
- C10H16O2
- Molecular Mass
- 168.24 g/mol
Identifiers
CAS Registry Number
96-08-2
SMILES
CC1(C2CCC3(C)OC3C2)CO1
InChI Key
RBHIUNHSNSQJNG-UHFFFAOYSA-N
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
Names and Synonyms
- Limonene Dioxide Common Name
- 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyl-2-oxiranyl)- Synonym
- p-Menthane, 1,2:8,9-diepoxy- Synonym
- 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(2-methyloxiranyl)- Synonym
- 1-Methyl-4-(2-methyl-2-oxiranyl)-7-oxabicyclo[4.1.0]heptane Synonym
- 1,2,8,9-Diepoxylimonene Synonym
- Dipentene dioxide Synonym
- Epoxide 269 Synonym
- Limonene dioxide Synonym
- Unoxat Epoxide 269 Synonym
- Unox 269 Synonym
- α-Limonene diepoxide Synonym
- 1,2:8,9-Diepoxy-p-menthane Synonym
- Dipentene diepoxide Synonym
- 1,2-Epoxy-1-methyl-4-(1-methylepoxyethyl)cyclohexane Synonym
- Unox Epoxide 269 Synonym
- Dipentene oxide Synonym
- Limonene diepoxide Synonym
- Diepoxylimonene Synonym
- NSC 30545 Synonym
- NSC 54753 Synonym
- 1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane Synonym
- C 3000 Synonym
- Limonene 1,2:8,9-diepoxide Synonym
- Seroxide 3000 Synonym
- 1,2-Epoxy-4-(2-methyloxiranyl)-1-methylcyclohexane Synonym
- C 3000 monomer Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 168.24 g/mol | CAS Common Chemistry |
| 168.23599999999996 g/mol | RDKit | |
| 168.236 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.0287 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 168.115029752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
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MW = 168.24 g/mol; density = 1.030 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H16O2.
