Polyether_Polyether Polyol Knowledge Phenethyl formate Phenethyl formate

Phenethyl formate Phenethyl formate

Phenethyl formate structural formula

Structural formula

Business number 02QC
Molecular formula C9H10O2
Molecular weight 150.17
label

2-phenylethyl formate,

2-Phenylethyl formate,

Benzeneethanol formate,

Benzylcarbinylformate

Numbering system

CAS number:104-62-1

MDL number:MFCD00021046

EINECS number:203-220-7

RTECS number:LQ9400000

BRN number:2044524

PubChem number:24901356

Physical property data

1. Properties: colorless liquid with a rose aroma, similar to hyacinth and chrysanthemum aroma, with a slight sweetness like unripe plums.

2. Density (g/mL, 25℃): 1.058

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

4. Melting point (ºC): Undetermined

5. Boiling point (ºC, normal pressure): 226,94ºC (1.2kpa)

6. Boiling point (ºC, kPa): Undetermined

7. Refractive index (n20D): 1.5075

8. Flash point (ºC): 91

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturation vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol ): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (polymer) Log value of the partition coefficient (alcohol/water): Undetermined

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

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

19. Solubility: Slightly soluble in water, soluble in most commonly used organic solvents.

Toxicological data

Acute toxicity: rat oral LD50: 3220mg/kg; rabbit skin contact LD50: >5mg/kg;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 42.36

2. Molar volume (cm3/mol): 142.4

3. Isotonic specific volume (90.2K ): 352.2

4. Surface tension (dyne/cm): 37.3

5. Polarizability (10-24cm3): 16.79

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: none

6. Topological molecule polar surface area 26.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 106

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

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

1. Found in flue-cured tobacco leaves, burley tobacco leaves, and oriental tobacco leaves.

Storage method

None yet

Synthesis method

1. Obtained from the direct esterification of phenylethyl alcohol and formic acid.

2. Tobacco: BU, 56; OR, 57, 26; FC, 40., 18.

Purpose

1. Can be used in daily chemical flavor formulas and food flavor formulas.

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/15458

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