Polyether_Polyether Polyol Knowledge 2-Methyl-4-carbonyl-2-cyclohexene-1-carboxylic acid ethyl ester

2-Methyl-4-carbonyl-2-cyclohexene-1-carboxylic acid ethyl ester

2-Methyl-4-carbonyl-2-cyclohexene-1-carboxylic acid ethyl ester structural formula

Structural formula

Business number 053A
Molecular formula C10H14O3
Molecular weight 182.22
label

4-Carbethoxy-3-methyl-2-cyclohexen-1-one,

Hagemann’s ester

Numbering system

CAS number:487-51-4

MDL number:MFCD00001582

EINECS number:207-657-4

RTECS number:None

BRN number:1371741

PubChem number:24892746

Physical property data

1. Character: Undetermined


2. Density (g/ m3,25/4): 1.078


3. Relative vapor density (g/cm3,air=1): Undetermined


4. Melting point (ºC): Undetermined


5. Boiling point (ºC,Normal pressure):268-272


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive index:1.488


8. Flash Point (ºF):230


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturated vapor pressure (kPa,60ºC ): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Logarithmic value of partition coefficient for water: undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Undetermined

Toxicological data

None yet

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1 Moore’s foldRate: 47.69


2 Molar volumem3/mol):168.3


3 Isotonic specific volume90.2K):413.4


4 Surface tension3.0 dyne/cm):36.3


5 Polarizability(0.5 10-24cm 3):18.90

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.7

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 13

6. Topological molecule polar surface area 43.4

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 253

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save sealed and placed in a ventilated, dry environment


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.polyether-factory.com/archives/21021

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