Toluene diisocyanate manufacturer Knowledge D-(-)-Quinic acid D-(-)-Quinic acid

D-(-)-Quinic acid D-(-)-Quinic acid

D-(-)-quinic acid structural formula

Structural formula

Business number 01MJ
Molecular formula C7H12O6
Molecular weight 192.17
label

D-quinic acid,

1,3,4,5,-Tetrahydroxycyclohexanecarboxylic acid,

Quinic acid,

cinchona acid,

Quinic acid,

(1a,3a,4a,5β)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid,

Chinic acid,

Hexahydro1,3,4,5-tetrahydroxybenzoic acid,

acidic solvent

Numbering system

CAS number:36413-60-2

MDL number:MFCD00003864

EINECS number:201-072-8

RTECS number:GU8650000

BRN number:3201427

PubChem number:24870603

Physical property data

1. Properties: white transparent crystal. Found in cinchona bark. It has a strong sour taste. Lactones can form under high humidity conditions.

2. Density (g/mL, 25/4℃): 1.828

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

4. Melting point (ºC): 162~163

5. Boiling point (ºC, normal pressure): 438.4

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

7. Refractive index: Undetermined

8. Flash point (ºC): 233.1

9. Specific rotation (º): [α]D20 -42°~-44° (in water)

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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

18. Explosion lower limit (%, V/V): Undetermined

19. Solubility : Soluble in 2.5 parts of water, ethanol and glacial acetic acid, insoluble in ether.

Toxicological data

1. Acute toxicity

Mouse subcutaneous LD50: 10 mg/kg;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 41.63

2. Molar volume (cm3/mol): 102.0

3. Isotonic specific volume (90.2K): 376.1

4.   Surface tension (dyne/cm): 184.4

5. Polarizability (10-24cm3): 16.50

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -2.4

2. Number of hydrogen bond donors: 5

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 1

5. Topological molecular polar surface area (TPSA): 118

6. Number of heavy atoms: 13

7. Surface charge: 0

8. Complexity: 203

9. Number of isotope atoms: 0

10. Determine the atomic stereocenter Number: 2

11. Number of uncertain atomic stereocenters: 0

12. Number of determined chemical bond stereocenters: 0

13. Uncertain chemical bonds Number of stereocenters: 0

14. Number of covalent bond units: 1

Properties and stability

1. Exist in tobacco leaves and smoke.

Storage method

This product should be kept sealed.

Synthesis method

None yet

Purpose

Biochemical research. Stereoselective synthesis of chiral materials.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/41483

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