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Molecule
Eucalyptol
CAS: 470-82-6 · C10H18O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 470-82-6
- Molecular Formula
- C10H18O
- Molecular Mass
- 154.25 g/mol
Identifiers
CAS Registry Number
470-82-6
SMILES
CC12CCC(CC1)C(C)(C)O2
InChI Key
WEEGYLXZBRQIMU-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
Names and Synonyms
- Eucalyptol Common Name
- 2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl- Synonym
- p-Menthane, 1,8-epoxy- Synonym
- 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane Synonym
- Cajeputol Synonym
- Cineol Synonym
- Cineole Synonym
- 1,8-Cineole Synonym
- 1,8-Epoxy-p-menthane Synonym
- Eucalyptol Synonym
- Eucalyptole Synonym
- 1,8-Cineol Synonym
- p-Cineole Synonym
- 2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane Synonym
- Eucapur Synonym
- Terpan Synonym
- NSC 6171 Synonym
- Eukalyptol Synonym
- Eucalytol Synonym
- Eucaliptol Synonym
- 1,8-Eucalyptol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.25 g/mol | CAS Common Chemistry |
| 154.253 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9267 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Eucalyptol | CAS Common Chemistry |
| Boiling Point | 176.4 °C | CAS Common Chemistry |
| Canonical SMILES | O1C(C)(C)C2CCC1(C)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WEEGYLXZBRQIMU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 1.5 °C | CAS Common Chemistry |
| Name | 1,8-Cineole | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 2.7441000000000013 | RDKit |
| 2.7441 | RDKit | |
| Molar Refractivity | 45.52700000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 154.135765196 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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.
External Resources
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MW = 154.25 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H18O.
