CAS No.458-36-6,4-HYDROXY-3-METHOXYCINNAMALDEHYDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	458-36-6
Name:	4-HYDROXY-3-METHOXYCINNAMALDEHYDE
Article Data:	38

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
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^-24cm³; (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