叔丁醇,75-65-0，生产厂家，价格-洛克化工网移动版

返回



基本信息

制备方法及用途

物化性质

安全信息

毒理性

MSDS

结构与计算化学

上游产品

下游产品

表征图谱

叔丁醇

中文名称：: 叔丁醇

中文别名：: 叔丁醇;
特丁醇;
T-丁醇;
三甲基甲醇;
2-甲基-2-丙醇;
第三級丁醇

英文名称：: tert-Butanol

英文别名：: tert-butanol;
1,1-dimethylethanol;
t-Butyl hydroxide;
Trimethylcarbinol;
2-Propanol,2-methyl;
tert-Butyl alcohol;
Trimethyl methanol;
2-methylpropan-2-ol;
tertiry butyl alcohol;
t-butyl alcohol;
tert-Butanol

CAS No.：: 75-65-0

分子式：: C₄H₁₀O

分子量：: 74.12

精确分子量：: 74.07320

PSA：: 20.23000

MDL：: MFCD00004464

EINECS：: 200-889-7

BRN：: 906698

InChI：: InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H33

危险品标志：: F:Highly flammable
Xn:Harmful

风险术语：: R11; R20;

安全术语：: S16; S9;

分子结构式：

SDS：: 查看

叔丁醇制备方法及用途

制备方法

1.硫酸水合法由异丁烯与硫酸水合：一般是由抽提丁二烯后的混合C4馏分为原料，在0.7MPa、15℃条件下，用60-70%的硫酸酯化，99%的异丁烯被吸收生成叔丁基硫酸脂，然后水解生成叔丁醇，经水蒸气解吸，分去水分，精制提纯而得成品。 2.离子交换树脂水合法混合C4馏分与软水在阳离子交换树脂存在下水合生成叔丁醇，经分层、提浓，得85%叔丁醇。3.由抽提丁二烯后的混合C4馏分为原料，用60%～70%的硫酸酯化，99%的异丁烯被吸收生成叔丁基硫酸酯，然后水解生成叔丁醇，经水蒸气解吸，分去水分，精制提纯而得成品。或者混合C4馏分与软水在阳离子交换树脂存在下水合生成叔丁醇，经分层、浓缩得叔丁醇。4.以工业品叔丁醇为原料，先用饱和碳酸氢钠溶液洗涤，再加入10%的氢氧化钠溶液一起回流并蒸馏，馏出液用无水碳酸钾脱水干燥，过滤所得清液中加入新煅烧的氧化钙回流并蒸馏，馏出液中加入酒石酸再进行蒸馏，收集81.5～83.5℃馏分，即为成品。

合成制备方法

1.硫酸水合法由异丁烯与硫酸水合：一般是由抽提丁二烯后的混合C4馏分为原料，在0.7MPa、15℃条件下，用60-70%的硫酸酯化，99%的异丁烯被吸收生成叔丁基硫酸脂，然后水解生成叔丁醇，经水蒸气解吸，分去水分，精制提纯而得成品。

2.离子交换树脂水合法混合C4馏分与软水在阳离子交换树脂存在下水合生成叔丁醇，经分层、提浓，得85%叔丁醇。

3.由抽提丁二烯后的混合C4馏分为原料，用60%～70%的硫酸酯化，99%的异丁烯被吸收生成叔丁基硫酸酯，然后水解生成叔丁醇，经水蒸气解吸，分去水分，精制提纯而得成品。或者混合C4馏分与软水在阳离子交换树脂存在下水合生成叔丁醇，经分层、浓缩得叔丁醇。

4.以工业品叔丁醇为原料，先用饱和碳酸氢钠溶液洗涤，再加入10%的氢氧化钠溶液一起回流并蒸馏，馏出液用无水碳酸钾脱水干燥，过滤所得清液中加入新煅烧的氧化钙回流并蒸馏，馏出液中加入酒石酸再进行蒸馏，收集81.5～83.5℃馏分，即为成品。

用途简介

用作有机溶剂和化工原料，也是制备药物、香料的原料。

用途

1.常代替正丁醇作为涂料和医药的溶剂。用作内燃机燃料添加剂（防止化油器结冰）及抗爆剂。作为有机合成的中间体及生产叔丁基化合物的烷基化原料，可生产甲基丙烯酸甲酯、叔丁基苯酚、叔丁胺等，用于合成药物、香料。叔丁醇脱水可制取纯度99.0-99.9%的异丁烯。用作工业用洗涤剂的溶剂，药品萃取剂、杀虫剂、蜡用溶剂、纤维素酯、塑料和油漆的溶剂，还用于制造变性酒精、香料、果子精、异丁烯等。

2.测定分子量用的溶剂及色谱分析参比物质。此外，常代替正丁醇作为涂料和医药的溶剂。用作内燃机燃料添加剂（防止化油器结冰）及抗爆剂。作为有机合成的中间体及生产叔丁基化合物的烷基化原料，可生产甲基丙烯酸甲酯、叔丁基苯酚、叔丁胺等，用于合成药物、香料。叔丁醇脱水可制取纯度99.0%～99.9%的异丁烯。

3.用于有机合成，制造香精等。^[24]

叔丁醇物化性质

外观与性状：: 无色,无腐蚀性的液体
密度：: 0.81 g/mL at 25 °C(lit.)
熔点：: 23-26 °C(lit.)
沸点：: 83 °C(lit.)
闪点：: 95 °F
水溶解性：: soluble
折射率：: n20/D 1.399(lit.)
蒸汽密度：: 2.55 (vs air)
存储条件/存储方法：: 库房通风低温干燥,与氧化剂、酸类分开存放
稳定性相关：: 1.具有叔醇的化学反应特性。比伯醇、仲醇容易发生脱水反应，与盐酸振摇易生成氯化物。对金属无腐蚀性。
2.与水能形成共沸混合物，含水量21.76%，共沸点79.92℃，水溶液中加入碳酸钾可使其分层。易燃，其蒸气与空气可形成爆炸性混合物，遇明火、高热能引起燃烧爆炸。与氧化剂能发生强烈反应。　
3.稳定性^[20] 稳定
4.禁配物^[21] 酸类、酸酐、强氧化剂
5.聚合危害^[22] 不聚合
其它信息：: 1.性状：无色结晶或液体，有樟脑气味。^[1]
2.熔点（℃）：25.7^[2]
3.沸点（℃）：82.4^[3]
4.相对密度（水=1）：0.784^[4]
5.相对蒸气密度（空气=1）：2.55^[5]
6.饱和蒸气压（kPa）：4.1（20℃）^[6]
7.燃烧热（kJ/mol）：-2630.5^[7]
8.临界压力（MPa）：3.97^[8]
9.辛醇/水分配系数：0.35^[9]
10.闪点（℃）：11（CC）^[10]
11.引燃温度（℃）：470^[11]
12.爆炸上限（%）：8.0^[12]
13.爆炸下限（%）：2.4^[13]
14.溶解性：溶于水、乙醇、乙醚。^[14]
15.黏度（mPa·s,30ºC）：3.35
16.熔化热（KJ/kg）：91.6
17.比热容（KJ/(kg·K),27ºC,定压）：3.04
18.电导率（S/m）：2.9×10^-7
19.体膨胀系数（K^-1,20ºC）：0.00133
20.常温折射率（n²⁵）：1.3823³⁰
21.临界密度（g·cm^-3）：0.270
22.临界体积（cm³·mol^-1）：275
23.临界压缩因子：0.259
24.偏心因子：0.616
25.Lennard-Jones参数（A）：5.9095
26.Lennard-Jones参数（K）：334.79
27.溶度参数(J·cm^-3)^0.5：21.492
28.van der Waals面积（cm²·mol^-1）：7.620×10⁹
29.van der Waals体积（cm³·mol^-1）：52.380
30.气相标准燃烧热(焓)(kJ·mol^-1)：2690.77
31.气相标准声称热(焓)( kJ·mol^-1) ：-312.42
32.气相标准熵(J·mol^-1·K^-1) ：326.70
33.气相标准生成自由能( kJ·mol^-1)：-177.6
34.气相标准热熔(J·mol^-1·K^-1)：113.63
35.液相标准燃烧热(焓)(kJ·mol^-1)：-2643.95
36.液相标准声称热(焓)( kJ·mol^-1)：-359.24
37.液相标准熵(J·mol^-1·K^-1) ：192.88
38.液相标准生成自由能( kJ·mol^-1)：-184.68
39.液相标准热熔(J·mol^-1·K^-1)：218.6
40.晶相相标准燃烧热(焓)(kJ·mol^-1)：-2637.26
41.晶相标准声称热(焓)( kJ·mol^-1)：-365.89
42.晶相标准熵(J·mol^-1·K^-1) ：170.58
43.晶相标准生成自由能( kJ·mol^-1)：184.68
44.晶相标准热熔(J·mol^-1·K^-1)：146.1

叔丁醇毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :: EO1925000

CHEMICAL NAME :: tert-Butyl alcohol

CAS REGISTRY NUMBER :: 75-65-0

BEILSTEIN REFERENCE NO. :: 0906698

LAST UPDATED :: 199712

DATA ITEMS CITED :: 48

MOLECULAR FORMULA :: C4-H10-O

MOLECULAR WEIGHT :: 74.14

WISWESSER LINE NOTATION :: QX1&1&1

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 :: 3500 mg/kg

TOXIC EFFECTS :: Behavioral - ataxia

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 399 mg/kg

TOXIC EFFECTS :: Liver - other changes

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1538 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3559 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - corneal damage Cardiac - pulse rate Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Parenteral

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 12 gm/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - somnolence (general depressed activity)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 150 gm/kg/94D-C

TOXIC EFFECTS :: Behavioral - fluid intake Kidney, Ureter, Bladder - urine volume decreased Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 703 gm/kg/94D-C

TOXIC EFFECTS :: Behavioral - fluid intake Kidney, Ureter, Bladder - inflammation, necrosis, or scarring of bladder Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 146 gm/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1540 gm/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Endocrine - thyroid tumors

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

DOSE :: 2000 ppm/7H

SEX/DURATION :: female 1-19 day(s) after conception

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

TYPE OF TEST :: TCLo - Lowest published toxic concentration

ROUTE OF EXPOSURE :: Inhalation

DOSE :: 3500 ppm/7H

SEX/DURATION :: female 1-19 day(s) after conception

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 103 gm/kg

SEX/DURATION :: female 6-20 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - stillbirth Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 135 gm/kg

SEX/DURATION :: female 6-20 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Newborn - live birth index (measured after birth)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 20240 mg/kg

SEX/DURATION :: female 6-18 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

MUTATION DATA

TEST SYSTEM :: Insect - not otherwise specified

REFERENCE :: ENECEV Environment and Ecology. (Environment and Ecology, C/o Dr. S.K. Konar, Dept. of Zoology, Kalyani University, Kalyani 741253, West Bengal, India) V.1- 1983- Volume(issue)/page/year: 5,321,1989 *** REVIEWS *** ACGIH TLV-Not classifiable as a human 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 303 mg/m3 (100 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 TOXICOLOGY REVIEW 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: 8,627,1989 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 MSHA STANDARD-air:TWA 100 ppm (300 mg/m3) 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: 3,32,1971 OSHA PEL (Gen Indu):8H TWA 100 ppm (300 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 100 ppm (300 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 100 ppm (300 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 100 ppm (300 mg/m3) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 100 ppm (300 mg/m3);STEL 150 ppm (450 mg/m3) JAN 1993 OEL-AUSTRIA:TWA 100 ppm (300 mg/m3) JAN 1993 OEL-BELGIUM:TWA 100 ppm (303 mg/m3);STEL 150 ppm (455 mg/m3) JAN 1993 OEL-DENMARK:TWA 50 ppm (150 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 100 ppm (300 mg/m3) JAN 1993 OEL-GERMANY:TWA 100 ppm (300 mg/m3) JAN 1993 OEL-THE NETHERLANDS:TWA 100 ppm (300 mg/m3) JAN 1993 OEL-THE PHILIPPINES:TWA 100 ppm (300 mg/m3) JAN 1993 OEL-SWEDEN:TWA 50 ppm (150 mg/m3);STEL 75 ppm (250 mg/m3);Skin JAN 1993 OEL-SWITZERLAND:TWA 100 ppm (300 mg/m3);STEL 200 ppm (600 mg/m3) JAN 1993 OEL-TURKEY:TWA 100 ppm (300 mg/m3) JAN 1993 OEL-UNITED KINGDOM:TWA 100 ppm (300 mg/m3);STEL 150 ppm JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO t-BUTYL ALCOHOL-air:10H TWA 100 ppm;STEL 150 ppm REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 14400 No. of Facilities: 820 (estimated) No. of Industries: 11 No. of Occupations: 25 No. of Employees: 3121 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 14400 No. of Facilities: 10682 (estimated) No. of Industries: 128 No. of Occupations: 84 No. of Employees: 171420 (estimated) No. of Female Employees: 26045 (estimated)

毒理学数据：

1.急性毒性^[15]

LD50：2743mg/kg（大鼠经口）；＞2g/kg（兔经皮）

LC50：＞10000ppm（大鼠吸入，4h）

2.刺激性^[16]

家兔经皮：500μl（24h），轻度刺激。

家兔经眼：100μl（24h），重度刺激。

生态数据：

1.生态毒性 暂无资料

2.生物降解性^[17]

好氧生物降解（h）：677~4320

厌氧生物降解（h）：2400~12000

3.非生物降解性^[18]

水中光氧化剂半衰期（h）：18480~5.70×10⁸

空气中光氧化半衰期（h）：59~590

4.其他有害作用^[19] 该物质对环境有危害，应特别注意对水体的污染。

叔丁醇

叔丁醇制备方法及用途