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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
Names and Synonyms:
Eucalyptol
2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-
p-Menthane, 1,8-epoxy-
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane
Cajeputol
Cineol
Cineole
1,8-Cineole
1,8-Epoxy-p-menthane
Eucalyptol
Eucalyptole
1,8-Cineol
p-Cineole
2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane
Eucapur
Terpan
NSC 6171
Eukalyptol
Eucalytol
Eucaliptol
1,8-Eucalyptol
Identifiers:
SMILES:
CC12CCC(CC1)C(C)(C)O2
InChI:
InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
Key Properties
Boiling Point
176.4 °C
CAS Common Chemistry
Melting Point
1.5 °C
CAS Common Chemistry
Density
0.93 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 | 154.25 g/mol | CAS Common Chemistry |
| 154.253 g/mol | RDKit | |
| 154.135765196 g/mol | RDKit | |
| Density | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9267 g/cm3 @ Temp: 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 |
| Eucalyptol | 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 |
| Molar Refractivity | 45.52700000000002 | RDKit |
