Isopropyl palmitate

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:142-91-6

MDL number:MFCD00008993

EINECS number:205-571-1

RTECS number:RT4900000

BRN number:1786567

PubChem number:24901915

Physical property data

1. Properties: colorless to light yellow oily liquid. It has excellent permeability and is odorless and tasteless.

2. Density (g/mL, 25/4℃): 0.8404

3. Melting point (ºC): 13~15

4. Boiling point ( ºC, 0.266KPa): 160

5. Refractive index (20ºC): 1.4364

6. Flash point (ºC): >110

7. Viscosity (mPa·s, 25ºC): 5~10

8. Solubility: Soluble in acetone, chloroform, ethanol, ethyl acetate, mineral oil, isopropyl alcohol, silicone oil, vegetable oil, aliphatic hydrocarbons and aromatic Hydrocarbon; insoluble in glycerol, glycols and water.

9. Refractive index at room temperature (n²⁵): 1.43164

10. Relative density (20℃, 4℃): 0.8404^37.8

11. Boiling point (ºC): 4197.1¹⁰

Toxicological data

1. Acute toxicity: rat oral LD50: >5000 mg/kg; mouse intraperitoneal LC50: 100 mg/kg;

Rabbit transdermal LD50: >5000 mg/kg.

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: 91.80

2. Molar volume (cm³/mol): 346.0

3. Isotonic specific volume (90.2K ): 810.1

4. Surface tension (dyne/cm): 30.0

5. Polarizability (10^-24cm³): 36.39

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 8.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 16

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 224

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain atomic stereocenterNumber of centers: 0

13. Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Total Number of price key units: 1

Properties and stability

1. Stable under normal temperature and pressure. Transparent oily liquid, resistant to hydrolysis and rancidity, with good stability.

2. It is a good solvent for oils and fats, has good skin care effects, and has good affinity with the skin. Non-toxic, non-irritating, non-allergenic.

3. Exist in mainstream smoke.

Storage method

Packed in plastic drums or galvanized iron drums. Store in a cool, dry warehouse, away from fire and heat sources.

Synthesis method

1. Add 1 mol of hexadecanoic acid into the reaction kettle, add 1.5 mol of isopropanol, stir to dissolve, then add a catalyst amount of sulfuric acid and reflux for 10 hours under stirring, and evaporate excess isopropanol and water. Cool, add 5% Na2CO3 aqueous solution to neutralize, separate the water layer, and then dehydrate under reduced pressure to obtain the product.

2. Mainly adopt esterification method. It is obtained by esterification reaction of palmitic acid and isopropyl alcohol under heating conditions, followed by water washing, distillation and decolorization.

Purpose

1. Can be used as an oil agent in skin care and hair care products. It can also be used as a solubilizer for flavors. It can be used as a decomposing suspending agent in beauty products to facilitate even application, leaving the skin feeling soft and increasing scratch resistance. Added to hair dyes, sunscreen oils and antiperspirants, it has a foam stabilizing effect. Used as emollient, greasy carrier, and solvent.

2.It is an excellent emollient, used in cosmetics, which can increase the spreadability of cosmetics and make the skin soft and non-greasy. It can be used for In formulas such as cream, foundation cream, lipstick, sunscreen oil, hair oil, mascara, eye shadow, etc.