Ortho-28 acid

Structural formula of octanoic acid

Structural formula of octanoic acid

Structural formula

Business number 059E
Molecular formula C28H56O2
Molecular weight 424.74

octadecanoic acid,

28 acid,

montanic acid,

Montanic acid,

acidic solvent

Numbering system

CAS number:506-48-9

MDL number:MFCD00002812

EINECS number:208-041-8

RTECS number:None

BRN number:1801616

PubChem number:24857156

Physical property data

1. Properties: Crystal

2. Density (g/ cm3, 25/4℃): 0.8191

3. Relative vapor density (g/cm3, air=1): Not determined

4. Melting point (ºC): 91-93

5. Boiling point (ºC, Normal pressure): 295

6. Boiling point (ºC, 8kPa): 430.5

7. Refractive index: Undetermined

8. Flash point (ºC) : 192.5

9. Specific 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/water) distribution Log value of coefficient: Undetermined

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

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

19. Solubility: Insoluble in water. Soluble in ethanol, acetone, etc.

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. Molar refractive index: 133.33

2. Molar volume (cm3/mol): 485.3

3. Isotonic specific volume (90.2K ): 1167.9

4. Surface tension (dyne/cm): 33.5

5. Polarizability (10-24cm3): 52.85

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 26

5. Number of tautomers: none

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 30

8. Surface charge: 0

9. Complex…��:327

10. Number of isotope atoms: 0

11. Determined number of atomic stereocenters: 0

12. Uncertain atomic stereocenter Quantity: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Covalent bonds Number of units: 1

Properties and stability

1. Use and store according to specifications. It will not decompose and avoid contact with oxides.

2. Found in flue-cured tobacco leaves.

Storage method

Seal and store in a ventilated, dry environment

Synthesis method

1. Prepared by oxidation of octacosanol.

2. Tobacco: FC, 15, 41.


Used in organic synthesis.

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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