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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 Weight:
154.253 g/mol
Names and Synonyms:
Eucalyptol
1,8-Eucalyptol
Eucaliptol
Eucalytol
Eukalyptol
NSC 6171
Terpan
Eucapur
2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane
p-Cineole
1,8-Cineol
Eucalyptole
Eucalyptol
1,8-Epoxy-p-menthane
1,8-Cineole
Cineole
Cineol
Cajeputol
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane
p-Menthane, 1,8-epoxy-
2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-
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
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 | 154.253 g/mol | RDKit |
| Exact | Exact Molecular Weight | 154.135765196 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 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 | 9.23 Ų | RDKit |
| Physical Properties | LogP | 2.7441000000000013 | RDKit |
| molecular_mass | 154.25 g/mol | Legacy Database | |
| density | 0.93 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Eucalyptol | Legacy Database | |
| cas-boiling-point | 176.4 °C | Legacy Database | |
| cas-canonical-smile | O1C(C)(C)C2CCC1(C)CC2 | Legacy Database | |
| cas-density | 0.9267 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3 | Legacy Database | |
| cas-inchi-key | InChIKey=WEEGYLXZBRQIMU-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 1.5 °C | Legacy Database | |
| cas-name | 1,8-Cineole | Legacy Database | |
| wikipedia-name | Eucalyptol | Legacy Database | |
| Molar | Molar Refractivity | 45.52700000000002 | RDKit |
