21-乙酸肾上腺酮,1173-26-8，生产厂家，价格-洛克化工网移动版

21-乙酸肾上腺酮

中文名称：: 21-乙酸肾上腺酮

中文别名：: 21-乙酸肾上腺酮;
肾上腺酮21-乙酯;
皮质甾酮-21-乙酸酯

英文名称：: Pregn-4-ene-3,20-dione,21-(acetyloxy)-11-hydroxy-, (11b)-

英文别名：: Corticosterone 21-Acetate;
11β,21-Dihydroxy-4-pregnene-3,20-dione 21-Acetate;
[2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

CAS No.：: 1173-26-8

分子式：: C₂₃H₃₂O₅

分子量：: 388.50

精确分子量：: 388.22500

PSA：: 80.67000

MDL：: MFCD00010482

BRN：: 3225312

InChI：: The Key: WKQCPUMQBMFPLC-ZWFCQKKLSA-N3

风险术语：: R43

分子结构式：

SDS：: 查看

21-乙酸肾上腺酮物化性质

密度：: 1.2g/cm3
熔点：: 151ºC
沸点：: 542.2ºC at 760 mmHg
闪点：: 183.5ºC
折射率：: 1.556
蒸汽压：: 5.14E-14mmHg at 25°C
存储条件/存储方法：: 保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置
稳定性相关：: 如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物
其它信息：: 1.      性状：未确定
2.      密度（g/cm³,25℃）：未确定
3.      相对蒸汽密度（g/mL,空气=1）：未确定
4.      熔点（ºC）：151
5.      沸点（ºC,常压）：未确定
6.      沸点（ºC,0.5mmHg）：未确定
7.      折射率(°)：未确定
8.      闪点（ºC）：未确定
9.      比旋光度（º)）：未确定
10.   自燃点或引燃温度（ºC）：未确定
11.   蒸气压（mmHg,25ºC）：未确定
12.   饱和蒸气压（kPa,60ºC）：未确定
13.   燃烧热（KJ/mol）：未确定
14.   临界温度（ºC）：未确定
15.   临界压力（KPa）：未确定
16.   油水（辛醇/水）分配系数的对数值：未确定
17.   爆炸上限（%,V/V）：未确定
18.   爆炸下限（%,V/V）：未确定
19.   溶解性：未确定

21-乙酸肾上腺酮安全信息

危险类别码：: 43
RTECS号：: GM7820000
危险标志：: Xi

21-乙酸肾上腺酮毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GM7820000

CHEMICAL NAME :: Corticosterone, 21-acetate

CAS REGISTRY NUMBER :: 1173-26-8

BEILSTEIN REFERENCE NO. :: 3225312

LAST UPDATED :: 199707

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C23-H32-O5

MOLECULAR WEIGHT :: 388.55

WISWESSER LINE NOTATION :: L E5 B666 OV MUTJ A1 CQ E1 FV1OV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 40 mg/kg

SEX/DURATION :: female 19-22 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - endocrine system

REFERENCE :: PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 140,1360,1972

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 250 mg/kg

SEX/DURATION :: female 3 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina Reproductive - Maternal Effects - menstrual cycle changes or disorders

REFERENCE :: JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 51,309,1977

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 250 mg/kg

SEX/DURATION :: male 1 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct

REFERENCE :: JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 51,309,1977

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

DOSE :: 250 mg/kg

SEX/DURATION :: female 3 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Fertility - mating performance (e.g. # sperm positive females per # females mated; # copulations per # estrus cycles)

REFERENCE :: JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 51,309,1977

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 60 mg/kg

SEX/DURATION :: female 21-22 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - endocrine system

REFERENCE :: PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 140,1360,1972

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 400 mg/kg

SEX/DURATION :: female 11-14 day(s) after conception

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Effects on Embryo or Fetus - extra-embryonic structures (e.g., placenta, umbilical cord)

REFERENCE :: TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 6,313,1972

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 800 mg/kg

SEX/DURATION :: female 11-14 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - abortion

REFERENCE :: TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 6,313,1972

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 7200 mg/kg

SEX/DURATION :: female 11-14 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

REFERENCE :: NKEZA4 Nippon Koshu Eisei Zasshi. Japanese Journal of Public Health. (Nippon Koshu Eisei Gakkai, 1-29-8 Shinjuku, Shinjuku-ku, Tokyo 160, Japan) V.1- 1954- Volume(issue)/page/year: 33,165,1986

毒理学数据：: 2、生殖毒性：
大鼠生殖毒性试验TDLo：口经，母鼠怀孕后19-22天，40mg/kg。

21-乙酸肾上腺酮 MSDS

Section I.Chemical Product and Company Identification
    Chemical Name Corticosterone 21-Acetate
    Portland OR
    Synonym        Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-
    hydroxy-, (11-beta)- (9 CI)
    Chemical Formula        C23H32O5
    CAS Number        1173-26-8

Section II.        Composition and Information on Ingredients
    Toxicology Data
    Chemical Name        CAS Number Percent (%)        TLV/PEL
    Corticosterone 21-Acetate        Min. Not available.        Not available.
    1173-26-8
    98.0(HPLC)

Section III. Hazards Identification
    Acute Health Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this
    compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: REPRODUCTIVE EFFECTS:
    Rat TDLo (intraperitoneal) 250mg/kg, female, 3 Days prior to mating.
    Toxic Effects:
    Maternal Effects- Ovaries, fallopian tubes.
    Maternal Effects- Uterus, cervix, vagina.
    Maternal Effects- Menstrual cycle changes or disorders.
    Rat TDLo (intraperitoneal) 250mg/kg, male, 1 Day prior to mating.
    Toxic Effects:
    Paternal Effects- Testes, epididymis, sperm duct.
    Mouse TDLo (subcutaneous) 7200mg/kg, female, 11-14 Days of pregnancy.
    Toxic Effects:
    Effects on Fertility- Post-implantation mortality.
    Effects on Embryo or Fetus- Fetotoxicity.
    Specific Developmental Abnormalities- Craniofacial.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        First Aid Measures
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
    minutes. Get medical attention.
    Skin Contact
    In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
    Inhalation
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
    toxic material was ingested; the absence of such signs, however, is not conclusive.
    Continued on Next Page
    Corticosterone 21-Acetate

Section V.        Fire and Explosion Data
    Not available.
    Flammability        May be combustible at high temperature.        Auto-Ignition
    Flash Points        Flammable Limits
    Not available.        Not available.
    Combustion Products
    These products are toxic carbon oxides (CO, CO 2).
    Fire Hazards
    Not available.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemical powder.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.

Section VI.        Accidental Release Measures
    Spill Cleanup        Light sensitive material.
    Instructions        Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    disposal.

Section VII. Handling and Storage
    Handling and Storage        LIGHT SENSITIVE. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and
    store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust.
    Information
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult
    a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        Not available.

Section IX. Physical and Chemical Properties
    Solubility
    Physical state @ 20°C        Solid. (White powder.)        Not available.
    Not available.
    Specific Gravity
    Molecular Weight        388.50        Partition Coefficient        Not available.
    Boiling Point
    Not available.        Vapor Pressure        Not applicable.
    Melting Point        145 to 146°C (293 to 294.8°F)        Vapor Density        Not available.
    Refractive Index        Not available.        Volatility        Not available.
    Critical Temperature        Not available.        Odor        Not available.
    Viscosity        Not available.        Taste        Not available.

Section X. Stability and Reactivity Data
Stability

This material is stable if stored under proper conditions. (See Section VII for instructions)
    Conditions of Instability        Light sensitive. Avoid excessive heat and light.
    Incompatibilities
    Reactive with oxidizing agents.
    Continued on Next Page
    Corticosterone 21-Acetate

Section XI. Toxicological Information
    RTECS Number        GM7820000
    Routes of Exposure        Eye Contact. Ingestion. Inhalation.
    Toxicity Data        Not available.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: REPRODUCTIVE EFFECTS:
    Rat TDLo (intraperitoneal) 250mg/kg, female, 3 Days prior to mating.
    Toxic Effects:
    Maternal Effects- Ovaries, fallopian tubes.
    Maternal Effects- Uterus, cervix, vagina.
    Maternal Effects- Menstrual cycle changes or disorders.
    Rat TDLo (intraperitoneal) 250mg/kg, male, 1 Day prior to mating.
    Toxic Effects:
    Paternal Effects- Testes, epididymis, sperm duct.
    Mouse TDLo (subcutaneous) 7200mg/kg, female, 11-14 Days of pregnancy.
    Toxic Effects:
    Effects on Fertility- Post-implantation mortality.
    Effects on Embryo or Fetus- Fetotoxicity.
    Specific Developmental Abnormalities- Craniofacial.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    Acute Toxic Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this
    compound.

Section XII.        Ecological Information
    Ecotoxicity        Not available.
    Environmental Fate        Not available.

Section XIII. Disposal Considerations
    Waste Disposal        Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).
    PIN Number        Not applicable.
    Proper Shipping Name
    Not applicable.
    Packing Group (PG)        Not applicable.
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        Not available.
    (Canada)
    EINECS Number (EEC) 214-635-8
    EEC Risk Statements
    Not available.
    Japanese Regulatory Data Not available.
    Continued on Next Page

SECTION 16 - ADDITIONAL INFORMATION
N/A

21-乙酸肾上腺酮分子结构与计算化学数据

分子结构数据

1、摩尔折射率：103.58

2、

摩尔体积（m³/mol）：322.1

3、

等张比容（90.2K）：852.5

4、

表面张力（dyne/cm）:49.0

5、

介电常数：无可用

6、

偶极距（10^-24cm³

）：无可用

7、

极化率：41.06

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:1

3.氢键受体数量:5

4.可旋转化学键数量:4

5.互变异构体数量:15

6.拓扑分子极性表面积80.7

7.重原子数量:28

8.表面电荷:0

9.复杂度:739

10.同位素原子数量:0

11.确定原子立构中心数量:7

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

21-乙酸肾上腺酮上游产品

皮质酮乙酐氢化可的松 5β-pregnan-3α,11β-diol-20-one (3beta,5beta,11beta)-3,11-二羟基孕甾n-20-酮

21-乙酸肾上腺酮下游产品

皮质酮 5Α-孕甾-11Β,21-二醇-3,20-二酮