甲基叔丁基醚

外观与性状：

透明液体

密度：

0.7404

熔点：

-110 °C

沸点：

55-56 °C(lit.)

闪点：

-27 °F

水溶解性：

51 g/L (20 ºC)

折射率：

n20/D 1.369(lit.)

蒸汽压：

251mmHg at 25°C

蒸汽密度：

3.1 (vs air)

存储条件/存储方法：

储存注意事项^[22] 储存于阴凉、通风的库房。远离火种、热源。库温不宜超过37℃。保持容器密封。应与氧化剂分开存放，切忌混储。采用防爆型照明、通风设施。禁止使用易产生火花的机械设备和工具。储区应备有泄漏应急处理设备和合适的收容材料。

稳定性相关：

1.稳定性^[19]  稳定

2.禁配物^[20]  强氧化剂

3.聚合危害^[21]  不聚合

其它信息：

1.性状：无色液体，具有醚样气味。^[1]

2.熔点（℃）：-108.6^[2]

3.沸点（℃）：55.2^[3]

4.相对密度（水=1）：0.74^[4]

5.相对蒸气密度（空气=1）：3.1^[5]

6.饱和蒸气压（kPa）：27（20℃）^[6]

7.燃烧热（kJ/mol）：-3360.7^[7]

8.临界压力（MPa）：3.4^[8]

9.辛醇/水分配系数：0.94~1.24^[9]

10.闪点（℃）：-34~-28^[10]

11.引燃温度（℃）：375^[11]

12.爆炸上限（%）：8^[12]

13.爆炸下限（%）：1^[13]

14.溶解性：不溶于水，易溶于乙醇、乙醚。^[14]

15.相对密度（20℃，4℃）：0.7406

16.常温折射率（n²⁰）：1.3690

17.常温折射率（n²⁵）：1.3663

18.偏心因子：0.267

19.溶度参数(J·cm^-3)^0.5：15.117

20.van der Waals面积（cm²·mol^-1）：9.080×10⁹

21.van der Waals体积（cm³·mol^-1）：61.710

22.气相标准燃烧热(焓)(kJ·mol^-1)：-3399.03

23.气相标准声称热(焓)( kJ·mol^-1) ：-283.47

24.气相标准熵(J·mol^-1·K^-1) ：357.8

25.气相标准生成自由能( kJ·mol^-1)：-117.45

26.液相标准燃烧热(焓)(kJ·mol^-1)：-3368.97

27.液相标准声称热(焓)( kJ·mol^-1)：-313.56

28.液相标准熵(J·mol^-1·K^-1) ：265.3

29.液相标准生成自由能( kJ·mol^-1)：-119.96

30.液相标准热熔(J·mol^-1·K^-1)：187.5

包装等级：

II

风险类别：

3

海关代码：

2909199090

WGK_Germany：

3
德国有关水污染物质的分类清单

危险类别码：

R11;R38

安全说明：

S9-S16-S24-S45-S36/37

RTECS号：

KN5250000

安全标志：

S22:不要吸入粉尘。

危险标志：

F:Flammable

CHEMICAL IDENTIFICATION

RTECS NUMBER :

KN5250000

CHEMICAL NAME :

Ether, tert-butyl methyl

CAS REGISTRY NUMBER :

1634-04-4

BEILSTEIN REFERENCE NO. :

1730942

LAST UPDATED :

199712

DATA ITEMS CITED :

22

MOLECULAR FORMULA :

C5-H12-O

MOLECULAR WEIGHT :

88.17

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB87-174603

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

23576 ppm/4H

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB87-174603

TYPE OF TEST :

LD - Lethal dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

>148 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JSGRA2 Journal of Surgical Research. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1961- Volume(issue)/page/year: 53,572,1992

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

148 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

JSGRA2 Journal of Surgical Research. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1961- Volume(issue)/page/year: 53,572,1992

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

5960 uL/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

CHHTAT Zhonghua Yixue Zazhi. Chinese Medical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1915- Suspended 1967-72. Volume(issue)/page/year: 70,172,1990

TYPE OF TEST :

LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

141 gm/m3/15M

TOXIC EFFECTS :

Behavioral - general anesthetic

REFERENCE :

ANESAV Anesthesiology. (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1940- Volume(issue)/page/year: 11,455,1950

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1700 uL/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

CHHTAT Zhonghua Yixue Zazhi. Chinese Medical Journal. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.1- 1915- Suspended 1967-72. Volume(issue)/page/year: 70,172,1990 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

20 gm/kg/14D-I

TOXIC EFFECTS :

Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :

JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 9(5),525,1990

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

27 gm/kg/90D-I

TOXIC EFFECTS :

Kidney, Ureter, Bladder - changes in bladder weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Nutritional and Gross Metabolic - changes in calcium

REFERENCE :

JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 9(5),525,1990

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1516 ppm/6H/10D-I

TOXIC EFFECTS :

Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)

REFERENCE :

TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 143,301,1997 ** REPRODUCTIVE DATA **

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

DOSE :

8000 ppm/6H

SEX/DURATION :

multigeneration

TOXIC EFFECTS :

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)

REFERENCE :

JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 17(S1),S13,1997

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

DOSE :

4000 ppm/6H

SEX/DURATION :

female 6-15 day(s) after conception

TOXIC EFFECTS :

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

REFERENCE :

JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 17(S1),S21,1997

TYPE OF TEST :

TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :

Inhalation

DOSE :

8000 ppm/6H

SEX/DURATION :

female 6-15 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system

REFERENCE :

JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 17(S1),S21,1997 *** REVIEWS *** ACGIH TLV-Animal carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-TWA 144 mg/m3 (40 ppm) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 100 mg/m3 JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4267 No. of Facilities: 614 (estimated) No. of Industries: 6 No. of Occupations: 9 No. of Employees: 5996 (estimated) No. of Female Employees: 1783 (estimated)

毒理学数据：

1.急性毒性^[15] 

LD50：4g/kg（大鼠经口）；＞7500mg/kg（兔经皮）

LC50：41000mg/m³（大鼠吸入，4h）

2.刺激性   暂无资料

生态数据：

1.生态毒性^[16]

LC50：110mg/L（96h）（黑头呆鱼）

EC50：11.4~55mg/L（5，15，30min）（发光菌，Microtox测试）

2.生物降解性^[17]

好氧生物降解（h）：672~4320

厌氧生物降解（h）：2688~17280

3.非生物降解性^[18]

空气中光氧化半衰期（h）：20.7~265

中国海关编码：2909199090

概述：

2909199090. 其他无环醚及其卤化衍生物（包括磺化，硝化或亚硝化衍生物）. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

摘要/Summary：

2909199090. other acyclic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

分子结构数据

1、摩尔折射率：26.92

2、摩尔体积（cm³/mol）：117.4

3、等张比容（90.2K）：245.8

4、表面张力（dyne/cm）：19.1

5、极化率（10^-24cm³）：10.67

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:0

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积9.2

7.重原子数量:6

8.表面电荷:0

9.复杂度:33.7

10.同位素原子数量:0

11.确定原子立构中心数量:0

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

• 
  甲基叔丁基醚核磁图(¹HNMR)
• 
  甲基叔丁基醚Raman光谱
• 
  甲基叔丁基醚核磁图(¹³CNMR)
• 
  甲基叔丁基醚质谱(MS)
• 
  甲基叔丁基醚红外图谱(IR1)
• 
  甲基叔丁基醚红外图谱(IR2)