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Basic Information
CAS No.: 1045-69-8
Name: Testosterone acetate
Article Data: 96
Molecular Structure:
Molecular Structure of 1045-69-8 (Testosterone acetate)
Formula: C21H30O3
Molecular Weight: 330.467
Synonyms: Androst-4-en-17b-ol-3-one acetate;Androtest A;Deposteron;Farmatest;NSC 523836;Perandrone A;SKF 5647;Testosterone17-acetate;Testosterone,acetate (6CI,8CI);17-O-Acetyltestosterone;17b-Acetoxy-4-androsten-3-one;17b-Acetoxy-D4-androsten-3-one;17b-Acetoxyandrost-4-ene-3-one;17b-Acetoxytestosterone;17b-Hydroxyandrost-4-en-3-oneacetate;17b-Hydroxyandrost-4-en-3-one-17b-acetate;3-Oxoandrost-4-en-17b-yl acetate;4-Androsten-17b-ol-3-one 17-acetate;Aceto-sterandryl;Aceto-testoviron;Amolisin;
EINECS: 213-876-6
Density: 1.12 g/cm3
Melting Point: 139-141 °C
Boiling Point: 441.803 °C at 760 mmHg
Flash Point: 191.472 °C
Solubility: 2.35mg/L(25 oC)
Appearance: white to off-white crystalline powder
Hazard Symbols: ToxicT
Risk Codes: 45-22-63
Safety: 53-22-26-36
Transport Information: UN 2811 6.1/PG 2
PSA: 43.37000
LogP: 4.45000
Synthetic route
58-22-0

testosterone

108-24-7

acetic anhydride

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With pyridine; dmap at 20℃; for 24h; Inert atmosphere;100%
With pyridine at 0 - 20℃;99%
With copper(II) bis(trifluoromethanesulfonate) In dichloromethane at 20℃; for 3h;92%
58-22-0

testosterone

75-36-5

acetyl chloride

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With potassium fluoride on basic alumina In toluene for 2.5h;98%
With pyridine; acetic anhydride for 4h; Reflux;96%
With immobilized p-toluenesulfonic acid polymer bound macroporous In neat (no solvent) at 100℃; for 0.0416667h; Microwave irradiation; Sealed tube; Green chemistry;33%
With pyridine; acetic anhydride for 4h; Reflux;
2352-19-4

androsta-4,6-dien-17β-ol-3-one acetate

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With palladium 10% on activated carbon; ammonium formate In ethanol at 75 - 77℃; for 9.5h; Inert atmosphere;97.6%

17β-Acetoxytestosterone tosylhydrazone

A

1045-69-8

testosterone acetate

B

17β-Acetoxy-4α,5-epoxyandrostan-3-one

Conditions
ConditionsYield
With 3,3-dimethyldioxirane In acetone at 20℃; for 1h; Yields of byproduct given;A 95%
B n/a
2944-75-4

17β-acetoxy-4,5-epoxy-5β-androstan-3-one

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With Amberlyst 15; sodium iodide In acetone at 20℃; for 6h; deoxygenation;95%
58-22-0

testosterone

64-19-7

acetic acid

1045-69-8

testosterone acetate

Conditions
ConditionsYield
Stage #1: acetic acid With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In chloroform at 20℃; for 0.5h; Inert atmosphere;
Stage #2: testosterone With dmap In chloroform for 18h; Inert atmosphere; Reflux;
95%
58-22-0

testosterone

141-78-6

ethyl acetate

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With C12F18O13Zn4 for 40h; Reflux; Inert atmosphere;93%
6157-79-5

17β-acetoxyandrost-4-ene

1045-69-8

testosterone acetate

Conditions
ConditionsYield
With tert.-butylhydroperoxide; cobalt(II) acetate In decane; acetonitrile at 55℃; for 3h;70%
108-24-7

acetic anhydride

57711-43-0

17β-<(t-butyldimethylsilyl)oxy>androst-4-en-3-one

1045-69-8

testosterone acetate

Conditions
ConditionsYield
copper(II) bis(trifluoromethanesulfonate) In dichloromethane at 20℃; for 24h;67%
105360-48-3

Acetic acid (2S,8R,9S,10R,13S,14S,17S)-4-bromo-10,13-dimethyl-2-morpholin-4-yl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester

A

1045-69-8

testosterone acetate

B

21002-81-3

17β-acetoxy-4-bromo-4-androsten-3-one

Conditions
ConditionsYield
With zinc In acetic acid at 25℃; for 15h;A 30%
B 64%
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Specification

The Testosterone acetate is an organic compound with the formula C21H30O3. The IUPAC name of this chemical is  [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate. With the CAS registry number 1045-69-8, it is also named as (17β)-3-Oxoandrost-4-en-17-yl acetate. The product's category is Steroids.

Physical properties about Testosterone acetate are: (1)ACD/LogP: 4.14; (2)ACD/LogD (pH 5.5): 4.144; (3)ACD/LogD (pH 7.4): 4.144; (4)ACD/BCF (pH 5.5): 831.141; (5)ACD/BCF (pH 7.4): 831.141; (6)ACD/KOC (pH 5.5): 4280.594; (7)ACD/KOC (pH 7.4): 4280.594; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 43.37 Å2; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 92.697 cm3; (13)Molar Volume: 295.028 cm3; (14)Polarizability: 36.748×10-24cm3; (15)Surface Tension: 42.273 dyne/cm; (16)Density: 1.12 g/cm3; (17)Flash Point: 191.472 °C; (18)Enthalpy of Vaporization: 69.917 kJ/mol; (19)Boiling Point: 441.803 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and may cause cancer. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is Possible risk of harm to the unborn child. When you are using it, wear suitable protective clothing, do not breathe dust and avoid exposure - obtain special instructions before use.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
(2)InChI: InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1
(3)InChIKey: DJPZSBANTAQNFN-PXQJOHHUBX
(4)Std. InChI: InChI=1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1
(5)Std. InChIKey: DJPZSBANTAQNFN-PXQJOHHUSA-N