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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
Names and Synonyms:
Methyl Eugenol
1,2-Dimethoxy-4-(2-propen-1-yl)benzene
Ent 21040
4-Allylveratrole
1,2-Dimethoxy-4-allylbenzene
Eugenol methyl ether
1,3,4-Eugenol methyl ether
Eugenyl methyl ether
Veratrole methyl ether
Methyleugenol
Methyl eugenol ether
O-Methyleugenol
3,4-Dimethoxyallylbenzene
1-(3,4-Dimethoxyphenyl)-2-propene
Chavibetol methyl ether
4-Allyl-1,2-dimethoxybenzene
3-(3,4-Dimethoxyphenyl)propene
1-Allyl-3,4-dimethoxybenzene
Methyl eugenyl ether
Methylchavibetol
NSC 209528
NSC 8900
1,2-Dimethoxy-4-(2-propenyl)benzene
3,4-Dimethoxy-1-(2-propenyl)benzene
3-(3,4-Dimethoxyphenyl)-1-propene
Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-
Benzene, 4-allyl-1,2-dimethoxy-
Benzene, 1,2-dimethoxy-4-(2-propenyl)-
Veratrole, 4-allyl-
Identifiers:
SMILES:
C=CCc1ccc(OC)c(OC)c1
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
Key Properties
Boiling Point
254.7 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-4 °C
CAS Common Chemistry
Density
1.04 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 | 178.23 g/mol | CAS Common Chemistry |
| 178.23099999999997 g/mol | RDKit | |
| 178.099379688 g/mol | RDKit | |
| Density | 1.04 g/cm³ | CAS Common Chemistry |
| 1.0396 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyl_eugenol | CAS Common Chemistry |
| Boiling Point | 254.7 °C @ Press: 760 Torr | 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 |
| Molar Refractivity | 53.44700000000004 | RDKit |
