Toluene diisocyanate manufacturer Knowledge DL-12-Hydroxyoctadecanoic acid methyl ester

DL-12-Hydroxyoctadecanoic acid methyl ester

DL-12-Hydroxyoctadecanoic acid methyl ester structural formula

Structural formula

Business number 03TU
Molecular formula C19H38O3
Molecular weight 314.50
label

12-Hydroxymethylstearate,

12-Hydroxy-octadecanoic acid methylester,

Methyl 12-hydroxystearate,

aliphatic compounds

Numbering system

CAS number:141-23-1

MDL number:MFCD00046706

EINECS number:205-471-8

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

None yet

Toxicological data


2. Toxicological data:


1. Chronic toxicity/Carcinogenicity


Mouse subcutaneous TDLo: 1600 mg/kg/40W-I

Ecological data

3. Ecological data:


Usually for Water is not hazardous and materials should not be discharged into the surrounding environment without government permission.

Molecular structure data

5. Molecular property data:


1. Molar refractive index:93.34


2. Molar volume (m3/ mol):343.5


3. Isotonic specific volume (90.2K): 826.9


4. Surface tension (dyne/cm): 33.5


5. Polarizability10-24cm3):37.00

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 6.6

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 17

5. Number of tautomers: none

6. Topological molecule polar surface area 46.5

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 241

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

Stable under normal temperature and pressure.

Storage method

-20ºC Save

Synthesis method

None yet

Purpose

None yet

�� Polarizability(10-24cm3):37.00

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 6.6

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 17

5. Number of tautomers: none

6. Topological molecule polar surface area 46.5

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 241

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

Stable under normal temperature and pressure.

Storage method

-20ºC Save

Synthesis method

None yet

Purpose

None yet

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