Ethyl vanillate

Structure formula of ethyl vanillate

Structural formula

Business number 06HU
Molecular formula C10H12O4
Molecular weight 196.20
label

4-Hydroxy-3-methoxybenzoic acid ethyl ester,

Ethyl vanillate,

Ethyl-4-hydroxy-3-methoxybenzoate,

Ethyl vanillinate

Numbering system

CAS number:617-05-0

MDL number:MFCD00017269

EINECS number:210-503-9

RTECS number:None

BRN number:2100025

PubChem ID:None

Physical property data

1. Physical property data


1. Melting point (ºC): 43-45ºC


2. Boiling point (ºC,Normal pressure):108-110°C2 mm Hg(lit.)


3. Flashpoint (ºC):293ºC

Toxicological data

None yet

Ecological data

3. Ecological data:


1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.

Molecular structure data

5. Molecular property data:


1, Molar refractive index:51.21


2 Molar volume (m3/mol): 166.2


3, Isotonic specific volume (90.2K ): 423.5


4, Surface tension (dyne/ cm): 42.1


5 Polarizability (10-24cm3): 20.30

Compute chemical data

4. Calculated chemical data:


1. Hydrophobic parameter calculation reference value (XlogP):2.1


2. Number of hydrogen bond donors:1


3. Number of hydrogen bond acceptors:4


4. Number of rotatable chemical bonds:4


5. Topological molecule polar surface area (TPSA ): 55.8


6. Number of heavy atoms:14


7. Surface charge: 0


8. Complexity:193


9. Isotope atoms Quantity: 0


10. Determine atoms Number of stereocenters:0


11. Not sure Number of atomic stereocenters:0


12. Determine chemical bonds Number of stereocenters:0


13. Not sure Number of stereocenters of chemical bonds:0


14. Covalent Number of key units:1

Properties and stability

Properties and stability:


No decomposition products may occur under normal temperatures and pressures.

Storage method

Storage:


Seal the secret container and store it in a sealed main container in a cool place Dry position.

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/49064

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