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Coniferaldehyde

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Name

Coniferaldehyde

EINECS 207-278-4
CAS No. 20649-42-7 Density 1.186 g/cm3
PSA 46.53000 LogP 1.61290
Solubility N/A 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 N/A Appearance N/A
Safety 26-37/39-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 20649-42-7 (4-HYDROXY-3-METHOXYCINNAMALDEHYDE) Hazard Symbols IrritantXi
Synonyms

CONIFERALDEHYDE;CONIFERYL ALDEHYDE;4-HYDROXY-3-METHOXYCINNAMALDEHYDE;trans-4-Hydroxy-3-methoxycinnamaldehyde

Article Data 18

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

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