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| CAS No.: | 579-60-2 |
|---|---|
| Name: | O-EUGENOL |
| Molecular Structure: | |
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| Formula: | C10H12O2 |
| Molecular Weight: | 164.204 |
| Synonyms: | Guaiacol,6-allyl- (6CI);Phenol, 2-allyl-6-methoxy- (8CI);Phenol,2-methoxy-6-(2-propenyl)- (9CI);2-Allyl-6-methoxyphenol;2-Hydroxy-3-methoxy-1-allylbenzene;6-Allyl-2-methoxyphenol;NSC 406351;o-Allylguaiacol;o-Eugenol;2-Methoxy-6-(prop-2-en-1-yl)phenol; |
| EINECS: | 209-444-1 |
| Density: | 1.05 g/cm3 |
| Melting Point: | 81 °C(Solv: ligroine (8032-32-4)) |
| Boiling Point: | 251.5 °C at 760 mmHg |
| Flash Point: | 103.9 °C |
| Appearance: | Clear yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-42/43 |
| Safety: | 23-26-36 |
| PSA: | 29.46000 |
| LogP: | 2.12930 |
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Specification
The Phenol,2-methoxy-6-(2-propen-1-yl)-, with the CAS registry number 579-60-2, is also known as 2-Hydroxy-3-methoxy-1-allylbenzene. This chemical's molecular formula is C10H12O2 and molecular weight is 164.2. What's more, its systematic name is 2-Methoxy-6-(prop-2-en-1-yl)phenol and its EINECS number is 209-444-1.
Physical properties of Phenol,2-methoxy-6-(2-propen-1-yl)- are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.535; (8)Molar Refractivity: 48.72 cm3; (9)Molar Volume: 156.2 cm3; (10)Polarizability: 19.31×10-24 cm3; (11)Surface Tension: 36.5 dyne/cm; (12)Density: 1.05 g/cm3; (13)Flash Point: 103.9 °C; (14)Enthalpy of Vaporization: 50.85 kJ/mol; (15)Boiling Point: 251.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0129 mmHg at 25°C; (17)XLogP3-AA: 2.6; (18)Rotatable Bond Count: 3; (19)Tautomer Count: 3; (20)Topological Polar Surface Area 29.5; (21)Heavy Atom Count: 12; (22)Complexity: 145; (23)Covalently-Bonded Unit Count: 1.
Preparation: this chemical can be prepared by 1-allyloxy-2-methoxy-benzene at the temperature of 180 °C and the yield is about 91%.
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Uses of Phenol,2-methoxy-6-(2-propen-1-yl)-: it can be used to produce ethyl (6-allyl-2-methoxyphenoxy)acetate by heating. It will need reagents KI, K2CO3 and solvent acetone. The yield is about 90%.
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When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin and it may cause sensitisation by inhalation and skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and you can't breathe gas/fumes/vapour/spray.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=CC(=C1O)CC=C
(2)InChI: InChI=1S/C10H12O2/c1-3-5-8-6-4-7-9(12-2)10(8)11/h3-4,6-7,11H,1,5H2,2H3
(3)InChIKey: LREHGXOCZVBABG-UHFFFAOYSA-N