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| CAS No.: | 20649-42-7 |
|---|---|
| Name: | 4-HYDROXY-3-METHOXYCINNAMALDEHYDE |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C10H10O3 |
| Molecular Weight: | 178.188 |
| Synonyms: | CONIFERALDEHYDE;CONIFERYL ALDEHYDE;4-HYDROXY-3-METHOXYCINNAMALDEHYDE;trans-4-Hydroxy-3-methoxycinnamaldehyde |
| 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
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39-36 |
| PSA: | 46.53000 |
| LogP: | 1.61290 |
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- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
- Total:18 Page 1 of 1 1
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Specification
The Coniferaldehyde, with the CAS registry number of 12310-47-3, is also known as Coniferyl aldehyde. Its EINECS registry number is 207-278-4. This chemical's molecular formula is C10H10O3 and molecular weight is 178.18. What's more, its systematic name is (2E)-3-(4-Hydroxy-3-methoxyphenyl)prop-2-enal.
Physical properties about the Coniferaldehyde 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)Surface Tension: 45.8 dyne/cm; (17)Density: 1.186 g/cm3; (18)Flash Point: 136.8 °C; (19)Enthalpy of Vaporization: 60.53 kJ/mol; (20)Boiling Point: 338.8 °C at 760 mmHg; (21)Vapour Pressure: 4.88E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, 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=1/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
(3) InChIKey: DKZBBWMURDFHNE-NSCUHMNNBT