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Cas Database |
| Name |
Methyl eugenol glycol |
EINECS | N/A |
| CAS No. | 26509-45-5 | Density | 1.165g/cm3 |
| PSA | 58.92000 | LogP | 0.59950 |
| Solubility | N/A | Melting Point |
63 - 64 °C (diethyl ether) |
| Formula | C11H16 O4 | Boiling Point | 381.4°C at 760 mmHg |
| Molecular Weight | 212.246 | Flash Point | 184.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intraperitoneal and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALLYL COMPOUNDS. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-(3,4-Dimethoxyphenyl)propane-1,2-diol |
Article Data | 14 |
Methyl eugenol glycol Chemical Properties
Molecule structure of Methyl eugenol glycol (CAS NO.26509-45-5) :
IUPAC Name: 3-(3,4-dimethoxyphenyl)propane-1,2-diol
Molecular Weight: 212.24234 g/mol
Molecular Formula: C11H16O4
Density: 1.165 g/cm3
Boiling Point: 381.4 °C at 760 mmHg
Flash Point: 184.5 °C
Index of Refraction: 1.536
Molar Refractivity: 56.82 cm3
Molar Volume: 182.1 cm3
Polarizability: 22.52*10-24 cm3
Surface Tension: 43.5 dyne/cm
Enthalpy of Vaporization: 66.42 kJ/mol
Vapour Pressure: 1.69E-06 mmHg at 25 °C
XLogP3: 0.4
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 5
Exact Mass: 212.104859
MonoIsotopic Mass: 212.104859
Topological Polar Surface Area: 58.9
Heavy Atom Count: 15
Complexity: 174
Canonical SMILES: COC1=C(C=C(C=C1)CC(CO)O)OC
InChI: InChI=1S/C11H16O4/c1-14-10-4-3-8(5-9(13)7-12)6-11(10)15-2/h3-4,6,9,12-13H,5,7H2,1-2H3
InChIKey of Methyl eugenol glycol (CAS NO.26509-45-5) : NZKYZDCTLPYISK-UHFFFAOYSA-N
Methyl eugenol glycol Toxicity Data With Reference
| 1. | ipr-mus LD50:2005 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 199 (1972),226. | ||
| 2. | ivn-mus LD50:880 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 199 (1972),226. |
Methyl eugenol glycol Safety Profile
Moderately toxic by intraperitoneal and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALLYL COMPOUNDS.
Methyl eugenol glycol Specification
Methyl eugenol glycol (CAS NO.26509-45-5) is also called 2,3-Propanediol, 1-(3,4-dimethoxyphenyl)- .
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