Coniferaldehyde supplier | CasNO.20649-42-7

Name
4-HYDROXY-3-METHOXYCINNAMALDEHYDE
EINECS 207-278-4
CAS No. 20649-42-7
Article Data18
CAS DataBase
Density 1.186 g/cm³
Solubility
Melting Point 80-82 °C(lit.)
Formula C₁₀H₁₀O₃
Boiling Point 338.8 °C at 760 mmHg
Molecular Weight 178.188
Flash Point 136.8 °C
Transport Information
Appearance
Safety 26-37/39-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms CONIFERALDEHYDE;CONIFERYL ALDEHYDE;4-HYDROXY-3-METHOXYCINNAMALDEHYDE;trans-4-Hydroxy-3-methoxycinnamaldehyde
PSA 46.53000
LogP 1.61290

Coniferaldehyde 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

Product Name

4-HYDROXY-3-METHOXYCINNAMALDEHYDE

Coniferaldehyde Specification

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