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| CAS No.: | 458-36-6 |
|---|---|
| Name: | 4-HYDROXY-3-METHOXYCINNAMALDEHYDE |
| Molecular Structure: | |
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| Formula: | C10H10O3 |
| Molecular Weight: | 178.188 |
| Synonyms: | Cinnamaldehyde,4-hydroxy-3-methoxy- (6CI,8CI);2-Methoxy-4-(3-oxo-1-propenyl)phenol;3-(4-Hydroxy-3-methoxyphenyl)-2-propenal;3-(4-Hydroxy-3-methoxyphenyl)acrolein;3-(4-Hydroxy-3-methoxyphenyl)propenal;3-Methoxy-4-hydroxycinnamaldehyde;4-Hydroxy-3-methoxycinnamaldehyde;4-Hydroxy-3-methoxyzimtaldehyde;Coniferaldehyde;Coniferyl aldehyde;Ferulaldehyde;Ferulyl aldehyde;p-Coniferaldehyde; |
| EINECS: | 207-278-4 |
| Density: | 1.186 g/cm3 |
| Melting Point: | 80-82 °C(lit.) |
| Boiling Point: | 338.8 °C at 760 mmHg |
| Flash Point: | 136.8 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 46.53000 |
| LogP: | 1.61290 |
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Specification
The 2-Propenal,3-(4-hydroxy-3-methoxyphenyl)-, with the CAS registry number 458-36-6, is also known as Coniferaldehyde. Its EINECS number is 207-278-4. It belongs to the product category of Aromatic Aldehydes & Derivatives (substituted). This chemical's molecular formula is C10H10O3 and molecular weight is 178.18. What's more, its systematic name is 4'-Hydroxy-3'-methoxycinnamaldehyde.
Physical properties of 2-Propenal,3-(4-hydroxy-3-methoxyphenyl)- are: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.27; (6)ACD/BCF (pH 7.4): 6.24; (7)ACD/KOC (pH 5.5): 129.51; (8)ACD/KOC (pH 7.4): 128.79; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 50.88 cm3; (15)Molar Volume: 150.1 cm3; (16)Polarizability: 20.17×10-24 cm3; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.186 g/cm3; (19)Flash Point: 136.8 °C; (20)Enthalpy of Vaporization: 60.53 kJ/mol; (21)Boiling Point: 338.8 °C at 760 mmHg; (22)Vapour Pressure: 4.88E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. 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 gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C\C=C\c1cc(OC)c(O)cc1
(2)InChI: InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
(3)InChIKey: DKZBBWMURDFHNE-NSCUHMNNSA-N