Polyether_Polyether Polyol Knowledge α-isomethylionone α-iso-Methylionone

α-isomethylionone α-iso-Methylionone

α-isomethylionone structural formula

Structural formula

Business number 03KY
Molecular formula C14H22O
Molecular weight 206.32
label

Methyl-alpha-isoionone,

Isomethyl-alpha-ionone,

3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-ynyl)-3-buten-2-one,

α-Cetone,

Isomethyl-α-ionone,

food additives,

Flavor enhancer

Numbering system

CAS number:127-51-5

MDL number:MFCD00034582

EINECS number:204-846-3

RTECS number:None

BRN number:None

PubChem number:24889812

Physical property data

1. Character:Light yellow liquid

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 66.18


2. Moore Volume (m3/mol): 221.9


3. isotonic specific volume (90.2K):528.4


4. Surface Tension (dyne/cm):32.1


5. Polarizability10-24cm3):26.23

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP):3.3


2. Number of hydrogen bond donors: 0


3. Number of hydrogen bond acceptors: 1


4. Number of rotatable chemical bonds: 2


5. Number of tautomers: 5


6. Topological molecular polar surface area (TPSA):17.1


7. Number of heavy atoms: 15


8. Surface charge: 0


9. Complexity: 318Number of hydrogen bond donors: 0


3. Number of hydrogen bond acceptors: 1


4. Number of rotatable chemical bonds: 2


5. Number of tautomers: 5


6. Topological molecular polar surface area (TPSA):17.1


7. Number of heavy atoms: 15


8. Surface charge: 0


9. Complexity: 318


10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 0


12. The number of uncertain atomic stereocenters: 1


13. Determine the number of stereocenters of chemical bonds: 1


14. Uncertain number of chemical bond stereocenters: 0


15. Number of covalent bond units: 1

Properties and stability

1. Basic properties


1. Color: light yellow liquid.


2. Aroma: violet flowers and iris.

Storage method

None

Synthesis method

None

Purpose

None

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10. Number of isotope atoms: 0


11. Determine the number of atomic stereocenters: 0


12. The number of uncertain atomic stereocenters: 1


13. Determine the number of stereocenters of chemical bonds: 1


14. Uncertain number of chemical bond stereocenters: 0


15. Number of covalent bond units: 1

Properties and stability

1. Basic properties


1. Color: light yellow liquid.


2. Aroma: violet flowers and iris.

Storage method

None

Synthesis method

None

Purpose

None

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/17098

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