CAS No.60563-13-5,ETHYL HOMOVANILLATE Suppliers,MSDS download

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Molecular Structure:
CAS No.:	60563-13-5
Name:	ETHYL HOMOVANILLATE
Article Data:	8

Formula:	C₁₁H₁₄O₄
Molecular Weight:	210.23
Synonyms:	(4-Hydroxy-3-methoxyphenyl)aceticacid ethyl ester;4-HYDROXY-3-METHOXYPHENYLACETI;ETHYL HOMOVANILLATE;ethyl 4-hydroxy-3-methoxyphenylacetate;Ethyl vanillylformate;
EINECS:	262-298-0
Density:	1.16 g/cm³
Melting Point:	44-47 °C
Boiling Point:	314.4 °C at 760 mmHg
Flash Point:	121.6 °C
Appearance:	White to pale yellowish crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	55.76000
LogP:	1.50640

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Specification

The Benzeneacetic acid,4-hydroxy-3-methoxy-, ethyl ester, with the CAS registry number 60563-13-5, is also known as Ethyl vanillylformate. It belongs to the product category of Aromatic Esters. Its EINECS number is 262-298-0. This chemical's molecular formula is C₁₁H₁₄O₄ and molecular weight is 210.23. What's more, its systematic name is Ethyl (4-hydroxy-3-methoxyphenyl)acetate.

Physical properties of Benzeneacetic acid,4-hydroxy-3-methoxy-, ethyl ester are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 7.65; (6)ACD/BCF (pH 7.4): 7.63; (7)ACD/KOC (pH 5.5): 149.4; (8)ACD/KOC (pH 7.4): 148.91; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 55.4 cm³; (15)Molar Volume: 181.1 cm³; (16)Polarizability: 21.96×10^-24cm³; (17)Surface Tension: 41.5 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 121.6 °C; (20)Enthalpy of Vaporization: 57.77 kJ/mol; (21)Boiling Point: 314.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000253 mmHg at 25°C.

Uses of Benzeneacetic acid,4-hydroxy-3-methoxy-, ethyl ester: it can be used to produce 2-(4-hydroxy-3-methoxy-phenyl)-N-octadeca-9,12-dienyl-acetamide at the temperature of 170°C. The reaction time is 3 hours. The yield is about 39%.

Benzeneacetic acid,4-hydroxy-3-methoxy-, ethyl ester can be used to produce 2-(4-hydroxy-3-methoxy-phenyl)-N-octadeca-9,12-dienyl-acetamide at the temperature of 170°C

When you are using this chemical, please be cautious about it as the following:
This product 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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)Cc1cc(OC)c(O)cc1
(2)Std. InChI: InChI=1S/C11H14O4/c1-3-15-11(13)7-8-4-5-9(12)10(6-8)14-2/h4-6,12H,3,7H2,1-2H3
(3)Std. InChIKey: AWPMWZHWVKXADV-UHFFFAOYSA-N