Orchidosequinone
Structural formula
| Business number | 0528 |
|---|---|
| Molecular formula | C11H8O3 |
| Molecular weight | 188.10 |
| label |
5-Hydroxy-2-methyl-1,4-naphthoquinone |
Numbering system
CAS number:481-42-5
MDL number:MFCD00001682
EINECS number:207-569-6
RTECS number:QL8500000
BRN number:None
PubChem number:24898833
Physical property data
1. Character: Undetermined
2. Density (g/ m3,25/4℃): Undetermined
3. Relative vapor density ( g/cm3,Air=1): Undetermined
4. Melting point (ºC):76-78
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: Undetermined
8. Flash Point (ºC): Undetermined
9. Specific optical 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/Log value of water) partition coefficient: Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
1 , Acute toxicity: Rat oral administrationLD50: 65mg/kg, no details except lethal dose;
Orally administered to miceLD50: 16ug/kg, no details except lethal dose;
Mouse transperitoneallyLD50: 5mg/kg, no details except lethal dose;
2, reproductive toxicity: ratDOSEoralTDLo: female Pregnant 10 Queen: 300mg/kgSEX/DURATION, produced in the mother’s ovaries and fallopian tubes Impact.
RatDOSEOralTDLo: Female pregnancy30 Queen of Heaven:100mg/kgSEX/DURATION, which has an impact on mating performance.
Rat DOSEOral TDLo: Female pregnant 15 days later: 150mg/kgSEX/ DURATION, affects the mother’s delivery.
Rat DOSEOral TDLo: Female pregnant 5-11 days later: 35mg/ kgSEX/DURATION, causing miscarriage.
Rat DOSEOral TDLo: Female pregnancy 1-5 days later: 50mg/ kgSEX/DURATION, affects preimplantation mortality;
dogDOSE Transabdominal TDLo: Male 30 days before mating: 300mg/kgSEX/ DURATION, affecting the father’s testicles, epididymis, and sperm ducts;
RabbitDOSE Oral TDLo: Female 1 days before mating: 10mg/kgSEX/ DURATION, affecting fertility.
3 , Mutagenicity data: MicroorganismsTEST Systematic mutation: bacteria –TyphimuriumSalmonella:100 ug/plate;
Microbial organisms TESTSystem mutation: Escherichia coli:500umol/plate.
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:49.48
2、 Molar volume（m3/mol)：138.9
3 , Isotonic specific volume (90.2K):382.0
4、 Surface tension（dyne/cm)：57.1
5、 Polarizability(10-24cm3）：19.61
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: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 14
6. Topological molecule polar surface area 54.4
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 317
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
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Temperature-20Store at ℃
Synthesis method
None
Purpose
None
