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Molecule
Methyl Eugenol
CAS: 93-15-2 · C11H14O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 93-15-2
- Molecular Formula
- C11H14O2
- Molecular Mass
- 178.23 g/mol
Identifiers
CAS Registry Number
93-15-2
SMILES
C=CCc1ccc(OC)c(OC)c1
InChI Key
ZYEMGPIYFIJGTP-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
Names and Synonyms
- Methyl Eugenol Synonym
- 1,2-Dimethoxy-4-(2-propen-1-yl)benzene Synonym
- Ent 21040 Synonym
- 4-Allylveratrole Synonym
- 1,2-Dimethoxy-4-allylbenzene Synonym
- Eugenol methyl ether Synonym
- 1,3,4-Eugenol methyl ether Synonym
- Eugenyl methyl ether Synonym
- Veratrole methyl ether Synonym
- Methyleugenol Synonym
- Methyl eugenol ether Synonym
- O-Methyleugenol Synonym
- 3,4-Dimethoxyallylbenzene Synonym
- 1-(3,4-Dimethoxyphenyl)-2-propene Synonym
- Chavibetol methyl ether Synonym
- 4-Allyl-1,2-dimethoxybenzene Synonym
- 3-(3,4-Dimethoxyphenyl)propene Synonym
- 1-Allyl-3,4-dimethoxybenzene Synonym
- Methyl eugenyl ether Synonym
- Methylchavibetol Synonym
- NSC 209528 Synonym
- NSC 8900 Synonym
- 1,2-Dimethoxy-4-(2-propenyl)benzene Synonym
- 3,4-Dimethoxy-1-(2-propenyl)benzene Synonym
- 3-(3,4-Dimethoxyphenyl)-1-propene Synonym
- Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)- Synonym
- Benzene, 4-allyl-1,2-dimethoxy- Synonym
- Benzene, 1,2-dimethoxy-4-(2-propenyl)- Synonym
- Veratrole, 4-allyl- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.23 g/mol | CAS Common Chemistry |
| 178.23099999999997 g/mol | RDKit | |
| 178.231 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0396 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyl_eugenol | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC=C(C=C1OC)CC=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZYEMGPIYFIJGTP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -4 °C | CAS Common Chemistry |
| Name | Methyleugenol | CAS Common Chemistry |
| Methyl eugenol | CAS Common Chemistry | |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.4323000000000006 | RDKit |
| 2.4323 | RDKit | |
| 2.28 | chempirical lib | |
| Molar Refractivity | 53.44700000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 178.099379688 g/mol | RDKit |
| Boiling Point | 254.7 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 178.23 g/mol; density = 1.040 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H14O2.
