Name: SINAPINALDEHYDE
SKU: 4206-58-0

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Basic Information

Molecular Structure:
CAS No.:	4206-58-0
Name:	SINAPINALDEHYDE
Article Data:	15

Formula:	C₁₁H₁₂O₄
Molecular Weight:	208.214
Synonyms:	2-Propenal,3-(4-hydroxy-3,5-dimethoxyphenyl)-, (E)-;Cinnamaldehyde,4-hydroxy-3,5-dimethoxy- (6CI,7CI,8CI);(E)-3,5-Dimethoxy-4-hydroxyphenylpropenaldehyde;Sinapaldehyde;Sinapicaldehyde;Sinapyl aldehyde;trans-Sinapaldehyde;
Density:	1.195 g/cm³
Melting Point:	104-106 °C(lit.)
Boiling Point:	372.3 °C at 760 mmHg
Flash Point:	146.3 °C
Appearance:	YELLOW TO ORANGE TO BROWN POWDER OR CRYSTALS
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	55.76000
LogP:	1.62150

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Specification

The 2-Propenal,3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)-, with the CAS registry number 4206-58-0, is also known as (2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)acrylaldehyde. It belongs to the product category of Aromatic Aldehydes & Derivatives (substituted). This chemical's molecular formula is C₁₁H₁₂O₄ and molecular weight is 208.21. Its IUPAC name is called (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal. The product should be sealed and stored in dry and well-ventilated place.

Physical properties of 2-Propenal,3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)-: (1)ACD/LogP: 1.00; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 0.99; (4)ACD/BCF (pH 5.5): 3.37; (5)ACD/BCF (pH 7.4): 3.35; (6)ACD/KOC (pH 5.5): 83.02; (7)ACD/KOC (pH 7.4): 82.58; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.575; (12)Molar Refractivity: 57.56 cm³; (13)Molar Volume: 174.1 cm³; (14)Surface Tension: 43.5 dyne/cm; (15)Density: 1.195 g/cm³; (16)Flash Point: 146.3 °C; (17)Enthalpy of Vaporization: 64.38 kJ/mol; (18)Boiling Point: 372.3 °C at 760 mmHg; (19)Vapour Pressure: 4.53E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-acetoxy-3,5-dimethoxy-trans-cinnamaldehyde. This reaction will need reagent KOH and solvent aq. ethanol. The reaction time is 12 hours. The yield is about 86%.

Uses of 2-Propenal,3-(4-hydroxy-3,5-dimethoxyphenyl)-, (2E)-: it can be used to produce 4-hydroxy-3,5-dimethoxy-trans-cinnamyl alcohol at ambient temperature. This reaction will need reagent NaBH(OAc)₃ and solvent ethyl acetate with reaction time of 7 hours. The yield is about 91%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=CC(=C1O)OC)C=CC=O
(2)Isomeric SMILES: COC1=CC(=CC(=C1O)OC)/C=C/C=O
(3)InChI: InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+
(4)InChIKey: CDICDSOGTRCHMG-ONEGZZNKSA-N