16-Hexadecanolide 16-Hexadecanolide
Structural formula
| Business number | 02YW |
|---|---|
| Molecular formula | C16H30O2 |
| Molecular weight | 254.41 |
| label |
Oxycycloheptadecane-2-one, hexadecanolide, 16-Hexadecanolide, 1,16-Hexadecanolactone, 16-Hydroxyhexadecanoic acidlactone, Cyclohexadecanolide, Oxacycloheptadecan-2-, Dihydroambrettolide, Hexadecanoic-16-Lactone, Hexadecanolide, Juniperic Acid Lactone |
Numbering system
CAS number:109-29-5
MDL number:MFCD00039668
EINECS number:203-662-0
RTECS number:RN9730000
BRN number:148631
PubChem number:24895416
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 25℃): 0.94
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 34-38
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 15mmHg): 188
7. Refractive index (D20): Undetermined
8. Flash point (ºC): >100
9. Specific rotation (ºC): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20ºC ): Undetermined
12. Saturated vapor pressure (kPa, ℃): 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 Determined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
1. Skin/eye irritation
Standard Draize test: rabbit, skin contact: 500mg/24H, severity of reaction: moderate.
2. Acute toxicity: Rat oral LD50: >5mg/kg; rabbit skin contact LD50: >5mg/kg;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 75.52
2. Molar volume (cm3/mol): 289.1
3.Isotonic specific volume (90.2K): 666.9
4. Surface tension (dyne/cm): 28.3
5. Polarizability (10-24cm3): 29.93
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 6.3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 201
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
Avoid contact with strong oxidizing agents.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None yet
Purpose
None yet
