Basic information
- CAS
1045-69-8- Standard SMILES
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
DJPZSBANTAQNFN-PXQJOHHUSA-N- Molecular formula
- C21H30O3
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.21949482
Overview
Testosterone acetate is an androstanoid that is the acetate derivative of testosterone. It has a role as a human metabolite. It is a sterol ester, a 3-oxo-Delta(4) steroid and an androstanoid. It is functionally related to a testosterone.
Names & identifiers
- Preferred name
- Testosterone, acetate
- IUPAC
- [(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
- English name
- Testosterone acetate
- Molecular formula
- C21H30O3
- Molecular weight
- 330.46
Names & synonyms
Testosterone acetate1045-69-817beta-Acetoxy-4-androsten-3-one3-Oxoandrost-4-en-17beta-yl acetate17beta-Hydroxyandrost-4-en-3-one acetateTestosterone, acetate[(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] acetate5652105Y6SCHEBI:1652417beta-hydroxyandrost-4-en-3-one, 17-acetate4-Androsten-17-ol-3-one acetateNSC-523836
Show more names
skf5647SKF 5647Test AceNSC523836androtestaNSC 523836
((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) acetateRefChem:896634213-876-6Testosterone 17-acetateDeposteronAmolisinFarmatestAceto-sterandryl
Database identifiers
- CAS
1045-69-8- PubChem CID
- 92145
- DTXSID
DTXSID80909007- ChEMBL
CHEMBL488762- ChEBI
CHEBI:16524- UNII
- 5652105Y6S
- EC Number
- 213-876-6
- Nikkaji
- J38.390B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 606
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C19 steroids (androgens) and derivatives [ST0202]
SpringerMaterials PropertiesCrystal structure
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 139 · 139-141 °C
- Boiling point
- 427.89 °C · 427.89°C (rough estimate)
- Density
- 1.0234 · 1.0234 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- Flash point
- 2 ℃ · 2℃
- storage temp.
- -20 °C · Controlled Substance, -20°C Freezer
- solubility
- 1 mg/ml; · Acetonitrile: 1 mg/ml; Ethanol: 1 mg/ml; Methanol: 1 mg/ml
- form
- A crystalline solid
- Water Solubility
- 2.35 mg/L · 2.35mg/L(25 ºC)
- Merck
- 13 · 13,9255
- 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-/s3
- InChIKey
- DJPZSBANTAQNFN-PXQJOHHUSA-N
- SMILES
- [C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)OC(=O)C |&1:0,4,6,9,11,21,r|
- CAS DataBase Reference
- 1045 · 1045-69-8(CAS DataBase Reference)
- FDA UNII
- 5652105 Y6S · 5652105Y6S
- NIST Chemistry Reference
- -4 · Androst-4-en-3-one, 17-(acetyloxy)-, (17«beta»)-(1045-69-8)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302+H332-H319
- Precautionary statements
- 210 · P210-P305+P351+P338
- Hazard Codes
- T,Xn,F
- Risk Statements
- 45 · 45-22-63-36-20/21/22-11
- Safety Statements
- 53 · 53-22-26-36-36/37-16
- RIDADR
- 2811 · UN 2811 6.1/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 3061500 · XA3061500
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- XA3061500
- ridadr
- UN 2811 6.1/PG 2
- risk_code
- 45-22-63-36-20/21/22-11
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- T,Xn,F
- safety_code
- 53-22-26-36-36/37-16
- Hazard statements
- H225-H302+H332-H319
- Precautionary statements
- P210-P305+P351+P338
Chemistry & industry
Applications
DescriptionTestosterone acetate is an analytical reference standard categorized as an anabolic androgenic steroid. It is an ester of the naturally occurring androgen, testosterone. Testosterone acetate is regulated as a Schedule III compound in the United States. This product is intended for research and forensic applications.
UsesTestosterone Acetate is a Controlled substance that is less popular due to Acetate solution, which is aqueous solution, instead of oil solution as other esterified versions of testosterone that is offering much longer half life. It does not have any medical uses when it comes with Acetate ester. However, taken in consideration that it works in the same way as any other esterified testosterone, it can be used for the same purposes as the esterified testosterones.
General DescriptionTestosterone acetate is an androgen ester and an intermediate in the synthesis of testosterone from progesterone, isolated from microorganisms.
Upstream & downstream products
Downstream products
Suppliers100 total
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
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广州佳途科技股份有限公司81960175 18933936954 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
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上海科骊科生物技术有限公司021-34975789 18721102763
上海钰源生物化学有限公司021-13814116 13814116708 · [email protected]
陕西林奈生物化工有限公司15327269642 · [email protected]
Syntechem Co.,Ltd[email protected]
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Nanjing Shizhou Biotechnology Co., Ltd+86-15850508050 · [email protected]
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斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
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Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
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Hubei Datong Bio-Chemical Technology Co.,Ltd027-87666700 · [email protected]
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Wuhan Biocar Bio-Pharm Co., Ltd.86 15387057351 · [email protected]
武汉森威尔世纪化工有限公司027-86652399 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
Additional notes
DefinitionChEBI: Testosterone acetate is an androstanoid that is the acetate derivative of testosterone. It has a role as a human metabolite. It is a sterol ester, an androstanoid and a 3-oxo-Delta(4) steroid. It is functionally related to a testosterone.
Related reactions
2 records
Compound notes
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