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Testosterone acetate structure
Testosterone acetate structure

Testosterone acetate

Iupac Name:[(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
CAS No.:1045-69-8
Molecular Weight:330.468
Introduction: An Androgen.Controlled substance.
1. Names and Identifiers
1.1 Name
Testosterone acetate
1.2 Synonyms

(17-beta)-17-(Acetyloxy)androst-4-en-3-one TESTOSTERONE 17-ACETATE VETRANAL, 250 MG TESTOSTERONE ACETATE 98+% TESTOSTERONE ACETATE(RG)(CALL)

1.3 CAS No.
1045-69-8
1.4 CID
92145
1.5 EINECS(EC#)
213-876-6
1.6 Molecular Formula
C21H30O3 (isomer)
1.7 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
1.8 InChkey
DJPZSBANTAQNFN-PXQJOHHUSA-N
1.9 Canonical Smiles
CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
1.10 Isomers 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. Properties
3.1 Density
1.12
3.2 Melting Point
139 - 141 C
3.3 Boiling Point
441.8°C at 760 mmHg
3.4 Vapour
5.28E-08mmHg at 25°C
3.5 Refractive Index
1.54
3.6 Flash Point
191.5°C
3.7 Appearance
white to off-white crystalline powder
3.8 Chemical Properties
White Solid
3.9 Color/Form
Powder
3.10 StorageTemp
Controlled Substance, -20?C Freezer
3.11 Water Solubility
Insoluble
3. Use and Manufacturing
4.1 Definition
ChEBI: An androstanoid that is the acetate derivative of testosterone. Testosterone acetateSupplier
4.2 GHS Classification
Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 24 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H350 (95.83%): May cause cancer [Danger Carcinogenicity]
H361 (95.83%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P201, P202, P264, P270, P281, P301+P312, P308+P313, P330, P405, and P501
4.3 Usage
An Androgen.Controlled substance.
4. Safety and Handling
5.1 Hazard Codes
T
5.1 Risk Statements
R45;R22;R63
5.2 Safety Statements
53-22-26-36
5.3 Transport
UN 2811
5.4 Safety

Hazard Codes of?Testosterone acetate (CAS NO.1045-69-8):?ToxicT
Risk Statements: 45-22-63?
R45: May cause cancer.?
R22: Harmful if swallowed.?
R63: Possible risk of harm to the unborn child.
Safety Statements: 53-22-26-36?
S53: Avoid exposure - obtain special instructions before use.?
S22: Do not breathe dust.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36: Wear suitable protective clothing.
RIDADR: UN 2811 6.1/PG 2
WGK Germany: 3
RTECS: XA3061500

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Carcinogenicity, Category 1B

Reproductive toxicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H350 May cause cancer

H361 Suspected of damaging fertility or the unborn child

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

9. Computational chemical data
  • Molecular Weight:330.468g/mol
  • Molecular Formula:C21H30O3
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:330.21949481
  • Monoisotopic Mass:330.21949481
  • Complexity:606
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.4
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:6
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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