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1-Methyl-4-(2-methyloxiranyl)-7-oxabicyclo[4.1.0]heptane

5月 11th, 2024 News

1-methyl-4-(2-methyloxiranyl)-7-oxo Heterobicyclo[4.1.0]heptane structural formula

Structural formula

Business number 02AC
Molecular formula C10H16O2
Molecular weight 168.24
label

terpene dioxide,

dipentene dioxide,

1,2:8,9-Diepoxylimonene,

1,2:8,9-Diepoxylimonene

Numbering system

CAS number:96-08-2

MDL number:None

EINECS number:202-475-1

RTECS number:None

BRN number:107989

PubChem ID:None

Physical property data

1. Properties: colorless liquid with a slight menthol-like odor.

2. Density (g/mL, 20?): 1.03

3. Relative vapor density (g/mL, air=1): 7.40

4. Melting point (ºC): <60

5. Boiling point (ºC, normal pressure): 242

6. Boiling point (ºC, 43mmHg): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): 100.4

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, 20ºC) : 0.0027

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

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

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Slightly soluble in water, soluble in methanol, benzene, carbon tetrachloride, etc.

Toxicological data

1. Skin/eye irritation

Standard Draize test: rabbit, skin contact: 10mg/24H, severity of reaction: moderate.

2. Acute toxicity: Rat oral LD50: 5630mg/kg; Rat inhalation LC50: 60mg/m3/1H; Rat intraperitoneal LD50: 400mg/ kg; mouse LD50 by intramuscular injection: 600mg/kg; rabbit skin contact LD50: 1770?L/kg;

3. Chronic toxicity/carcinogenicity

Mouse TDLo: 6700mg /kg;

Ecological data

This substance is harmful to the environment, and special attention should be paid to atmospheric pollution.

Molecular structure data

1. Molar refractive index: 45.42

2. Molar volume (cm3/mol): 147.3

3. Isotonic specific volume (90.2K ): 390.5

4. Surface tension (dyne/cm): 49.3

5. Polarizability (10-24cm3): 18.00

Computational ChemistryData

1. Hydrophobic parameter calculation reference value (XlogP): 1.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers:

6. Topological molecular polar surface area (TPSA): 25.1

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 228

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 4

13. Determine the number of chemical bond stereocenters Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with strong oxidants and acids.

2. Found in tobacco leaves.

3. It has carcinogenic activity.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants and acids, and avoid mixed storage. 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

Purpose

Used as epoxy resin diluent, intermediate for preparing alkyd resin, plasticizer, lubricant additive and chemical intermediate.

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androstenedione

5月 11th, 2024 News

Androstenedione Structural Formula

Structural formula

Business number 015Z
Molecular formula C19H30O2
Molecular weight 290.44
label

Androsterone,

androstenone,

3?-hydroxy-5?-androstane-17-one,

5?-androstane-3A-ol-17-one,

androsterone,

cis-ketolated sterols,

cis-androgenone,

cis-androsterone,

androsterone,

3?-Hydroxy-5?-androstan-17-one,

5?-Androstan-3?-ol-17-one

Numbering system

CAS number:53-41-8

MDL number:MFCD00003618

EINECS number:200-173-4

RTECS number:BV8053000

BRN number:2217626

PubChem number:24869692

Physical property data

1. Character:White crystal or powder. Odorless. Sublime in a vacuum. Not precipitated by digitonin.


2. Density ( g/mL,25/4?): Undetermined


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


4. Melting point ( ºC): 185?185.5


5. Boiling point ( ºC,Normal pressure): Undetermined


6. Boiling point ( ºC,5.2kPa): Undetermined


7. Refractive index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation (º?? +94.6° (C?0.7, in anhydrous ethanol),[?]D15 +87.8°?C?1.5, in dioxane).


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


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturation 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/Water) partition coefficient pair Value: Undetermined


17. Explosion limit (%,V/V): Not OK


18. Lower explosion limit (%,V/V): Not OK


19. Solubility :Soluble in most organic solvents ,Insoluble in water.

Toxicological data

1, reproductive toxicity: male rats subcutaneously TDLo: 8400ug/kg, 21 days before mating; intramuscular TDLo in female rats: 80mg/kg, 13-20 days later to conceive

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 83.49


2. Molar volume (m3/mol??267.6


3. isotonic ratio(90.2K)?677.7


4. Surface Tension(dyne/cm)?41.1


5. Polarizability(10-24cm3)?33.10

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: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 37.3

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 459

10. Number of isotope atoms: 0

11. Determine the atomsNumber of stereocenters: 7

12. Number of uncertain atomic stereocenters: 0

13. Determined number of stereocenters of chemical bonds: 0

14 .The number of uncertain chemical bond stereocenters: 0

15. The number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be kept sealed.

Synthesis method

None yet

Purpose

Biochemical research . Androgens and anabolic hormones.

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Oxandrolone

5月 11th, 2024 News

Oxandrolone structural formula

Structural formula

Business number 015Y
Molecular formula C19H30O3
Molecular weight 306.44
label

(4aS,4bS,6aS,7R,9aS,9bR,11aS)-7-hydroxy-4a,6a,7-trimethyl-tetradecahydroindeno[4,5-h]isochromene-2(1H) -ketone,

(4aS,4bS,6aS,7R,9aS,9bR,11aS)-7-hydroxy-4a,6a,7-trimethyl-tetradecahydroindeno[4,5-h]isochromen-2(1H)-one

Numbering system

CAS number:53-39-4

MDL number:MFCD00198944

EINECS number:200-172-9

RTECS number:RN6800700

BRN number:None

PubChem ID:None

Physical property data

1. Character: White odorless crystalline powder


2. Density (g/mL,25/4?): Undetermined


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


4. Melting point (ºC):235-238


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


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


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturation 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 partition coefficient (water): undetermined


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


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility:Easily soluble in chloroform, slightly soluble in ethanol, acetone, slightly soluble in ether, and very slightly soluble in water.

Toxicological data

1, acute toxicity: Rat oral LD50: >10 mg/kg; rat intraperitoneal LD50 SPAN>: 4893 mg/kg; Rat subcutaneous LD50: >10 mg/kg ; Mouse oral LD50: 1832 mg/kg;
Mouse abdominal cavityLD50: 922 mg/kg; Mouse subcutaneous: >11 mg/kg; Rabbit Oral LD50: >5 mg/kg
2, reproductive toxicity: Oral administration to female rats TDLo: 1800mg/kg, 2-19 Pregnancy occurs after 3 days; subcutaneous TDLo in female rats: 70mg/kg, 14 Mate in advance;
Female RatTDLo?300mg/kg, 30 days before mating

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 85.10


2. Molar volume (m3/mol??277.0


3. isotonic ratio(90.2K)?696.3


4. Surface Tension(dyne/cm)?39.8


5. Polarizability(10-24cm3)?33.73

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.7

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: 2

6. Topological molecule polar surface area 46.5

7. Number of heavy atoms: 22

8. Surface charge: 0

9. Complexity: 503

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 7

12. Uncertain number of atomic stereocenters: 0

13. Determine the chemical bond stereocenter.?Number: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

Seal and store in a cool place away from light.

Synthesis method

With5-Androster-1-ene–3-17-?Keto or17?-Hydroxy-17-?-Methyl derivatives are used as raw materials.

Purpose

is a male hormone whose main function is protein assimilation. Used to treat high cholesterol and triglycerides.

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