可的松醋酸酯

外观与性状：

固体

密度：

1.26g/cm3

熔点：

237-240 °C(lit.)

沸点：

577.3ºC at 760mmHg

闪点：

197.3ºC

折射率：

212 ° (C=1, MeOH)

存储条件/存储方法：

遮光，密封保存。

稳定性相关：

白色针状结晶或结晶性粉末(丙酮)，无气味。在空气中稳定。Mp239- 241℃，比旋光度[α]²⁰_D+164°(0.5%，丙酮)、[α]²³_D+169°(氯仿)、[α]²⁵_D+208°-+217°(二氧六环)，本品的乙醇溶液在240nm波长处有最大吸收。易溶于氯仿(1：4)，溶于丙酮(1：75)，微溶于乙醇和乙醚，难溶于水。本品溶于硫酸呈黄色而无荧光(与醋酸氢化可的松相区别)。

其它信息：

1.     性状：白色或类白色结晶性粉末，无气味

2.     密度（g/mL,25/4℃）：未确定

3.     相对蒸汽密度（g/mL,空气=1）：未确定

4.     熔点（ºC）：237-240 °C。

5.     沸点（ºC,常压）：未确定

6.     沸点（ºC,5.2kPa）：未确定

7.     折射率：212 ° (C=1, MeOH)

8.     闪点（ºC）： 223

9.     比旋光度（º）：[α]25D+166°

10.   自燃点或引燃温度（ºC）：未确定

11.   蒸气压（kPa,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

WGK_Germany：

3
德国有关水污染物质的分类清单

安全说明：

S22-S36/37

RTECS号：

GM9140000

CHEMICAL IDENTIFICATION

RTECS NUMBER :

GM9140000

CHEMICAL NAME :

Cortisone 21-acetate

CAS REGISTRY NUMBER :

50-04-4

LAST UPDATED :

199607

DATA ITEMS CITED :

34

MOLECULAR FORMULA :

C23-H30-O6

MOLECULAR WEIGHT :

402.53

WISWESSER LINE NOTATION :

L E5 B666 CV OV MUTJ A1 E1 FV1OV1 FQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

35 mg/kg

TOXIC EFFECTS :

Tumorigenic - equivocal tumorigenic agent by RTECS criteria Vascular - tumors Musculoskeletal - tumors

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

300 mg/kg

SEX/DURATION :

female 20-21 day(s) after conception

TOXIC EFFECTS :

Reproductive - Maternal Effects - parturition

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

56 mg/kg

SEX/DURATION :

male 14 day(s) pre-mating

TOXIC EFFECTS :

Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

800 mg/kg

SEX/DURATION :

female 18-21 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Newborn - other postnatal measures or effects

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

400 mg/kg

SEX/DURATION :

female 1-8 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

500 mg/kg

SEX/DURATION :

female 12-13 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

300 mg/kg

SEX/DURATION :

female 12-15 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Newborn - live birth index (measured after birth) Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive) Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

500 mg/kg

SEX/DURATION :

female 8-17 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

700 mg/kg

SEX/DURATION :

female 16-22 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - other effects to embryo

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

3500 mg/kg

SEX/DURATION :

female 16-22 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Parenteral

DOSE :

600 mg/kg

SEX/DURATION :

female 7-14 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - skin and skin appendages

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Parenteral

DOSE :

60 mg/kg

SEX/DURATION :

female 16-19 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - endocrine system Reproductive - Effects on Newborn - stillbirth

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

182 mg/kg

SEX/DURATION :

female 13 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

400 mg/kg

SEX/DURATION :

female 8-11 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

100 mg/kg

SEX/DURATION :

female 9-12 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)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

122 mg/kg

SEX/DURATION :

female 13 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

50 mg/kg

SEX/DURATION :

female 14 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - eye/ear

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

30 mg/kg

SEX/DURATION :

female 14 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - other effects to embryo

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

200 mg/kg

SEX/DURATION :

female 11-12 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 - fetal death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

96 mg/kg

SEX/DURATION :

female 13 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

100 mg/kg

SEX/DURATION :

female 11-14 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

200 mg/kg

SEX/DURATION :

female 11-14 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

400 mg/kg

SEX/DURATION :

female 11-14 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - other effects to embryo

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Parenteral

DOSE :

100 mg/kg

SEX/DURATION :

female 12 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

150 mg/kg

SEX/DURATION :

female 20-34 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system Reproductive - Specific Developmental Abnormalities - urogenital system

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

37500 ug/kg

SEX/DURATION :

female 20-34 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetal death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

375 mg/kg

SEX/DURATION :

female 20-34 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - body wall

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intramuscular

DOSE :

25 mg/kg

SEX/DURATION :

female 14-17 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Ocular

DOSE :

2880 ug/kg

SEX/DURATION :

female 6-18 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system Reproductive - Specific Developmental Abnormalities - gastrointestinal system

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Ocular

DOSE :

2880 ug/kg

SEX/DURATION :

female 6-18 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Effects on Embryo or Fetus - fetal death

MUTATION DATA

TYPE OF TEST :

DNA repair

TEST SYSTEM :

Bacteria - Bacillus subtilis

DOSE/DURATION :

5 gm/L

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 42,19,1977 *** REVIEWS *** TOXICOLOGY REVIEW GENTAE Genetics. (Genetics Business Office, POB 64025, Baltimore, MD 21264) V.1- 1916- Volume(issue)/page/year: 39,185,1954 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5526 No. of Facilities: 52 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 1633 (estimated) No. of Female Employees: 813 (estimated)

毒理学数据：

1、急性毒性：小鼠腹腔LD50：35 mg/kg；

2、致畸性：枯草芽孢杆菌试验：5 gm/L

3、生殖毒性

大鼠口径TDLo：母体300 mg/kg；大鼠口径TDLo：父体56mg/kg；

大鼠腹腔TDLo：800 mg/kg；大鼠皮下TDLo：400 mg/kg，怀孕1-8天；大鼠皮下TDLo：500 mg/kg，怀孕12-13天；

大鼠肌肉TDLo：300mg/kg，怀孕12-15天；大鼠肌肉TDLo：500mg/kg，怀孕8-17天；大鼠肌肉TDLo：700mg/kg，怀孕16-22天；

大鼠肠道TDLo：600 mg/kg，怀孕7-14天；大鼠肠道TDLo：60 mg/kg，怀孕16-19天

小鼠腹腔TDLo：182 mg/kg，怀孕13天；小鼠腹腔TDLo：400mg/kg，怀孕8-11天；

小鼠皮下TDLo：100 mg/kg，怀孕9-12天；小鼠皮下TDLo：122 mg/kg，怀孕13天；小鼠皮下TDLo： 50 mg/kg，怀孕14天；

小鼠肌肉TDLo：200mg/kg，怀孕11-12天；小鼠肌肉TDLo：96mg/kg，怀孕13天；小鼠肌肉TDLo：200mg/kg，怀孕11-14天

小鼠肠道TDLo：100 mg/kg；

狗肌肉TDLo：150 mg/kg；

兔子肌肉TDLo：25 mg/kg；兔子眼睛TDLo：2880 ug/kg；

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

分子结构数据

 

1、  摩尔折射率：103.75

2、  摩尔体积（cm³/mol）：318.1

3、  等张比容（90.2K）：858.0

4、  表面张力（dyne/cm）：52.8

5、  极化率（10-24cm3）：41.13

计算化学数据

1、  疏水参数计算参考值（XlogP）：2.1

2、  氢键供体数量：1

3、  氢键受体数量：6

4、  可旋转化学键数量：4

5、  互变异构体数量：30

6、  拓扑分子极性表面积（TPSA）：97.7

7、  重原子数量：29

8、  表面电荷：0

9、  复杂度：827

10、  同位素原子数量：0

11、  确定原子立构中心数量：6

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

• 
  乙酸可的松红外图谱(IR1)
• 
  乙酸可的松红外图谱(IR2)
• 
  乙酸可的松核磁图(¹³CNMR)
• 
  乙酸可的松质谱(MS)