CAS No.1045-69-8,Testosterone acetate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1045-69-8
Name:	Testosterone acetate
Article Data:	96

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:	T
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With C12F18O13Zn4 for 40h; Reflux; Inert atmosphere;	93%

: 6157-79-5
17β-acetoxyandrost-4-ene

: 1045-69-8
testosterone acetate

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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