Orchidosequinone

Structural formula

Business number	0528
Molecular formula	C11H8O3
Molecular weight	188.10
label	5-Hydroxy-2-methyl-1,4-naphthoquinone

• 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: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