tert-Butyl Alcohol 叔丁醇

CAS 75-65-0 MFCD00004464

化学结构图

75-65-0
SMILES: CC(C)(C)O

化学属性

Refractive indexn20/D 1.387(lit.)
Melting Point23-26
Flash Point35°C
TSCAYes
Autoignition Point896 °F
Vapor Density2.5 (vs air)
Vapor Pressure31 mmHg ( 20 °C)
Solubility可溶
Stability易吸潮
Boiling Point83
Density0.78
Mol. FormulaC4H10O
Mol. Weight74.12
Danger-Level甲类

别名和识别编码

Chemical Nametert-Butyl Alcohol
Synonym tert-Butanol {LY} tert-Butanol {} {LY} tert-Butanol {} {} {LY} tert-Butanol {} {} {} {LY} tert-Butanol {} {} {} {} {LY} tert-Butanol {} {} {} {} {} {LY} tert-Butanol {} {} {} {} {} {} {LY} tert-Butanol {} {} {} {} {} {} {} {LY} tert-Butanol {} {} {} {} {} {} {} {} {LY} tert-Butanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Butanol {} {} {} {} {} {} {} {} {} {} {LY} tert-Butanol {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Butanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Butanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Butanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Butanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Butanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} tert-Butanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number75-65-0
PubChem Substance ID6386
EC Number200-889-7
Beilstein Registry Number906698
MDL NumberMFCD00004464
Reaxys-RN906698
Merck Number1542
Chemical Name Translation叔丁醇
Wiswesser Line NotationQX1&1&1
LabNetwork Molecule IDLN00163781
InChIInChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
Canonical SMILESCC(C)(O)C
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分类

  • {SNA} Phytochemicals by Plant (Food/Spice/Herb), Plastic Bottles, Solvent Bottles, Solvent Packaging Options, Solvents, Zingiber officinale (Ginger), 细胞生物学, 营养研究
  • {SNA} Amber Glass Bottles,
  • {Chemicalbook
  • {SNA} ReagentPlus,
  • {SNA} Anhydrous Solvents, Solvent Bottles, Solvent Packaging Options, Solvent by Application, Solvents, Sure/Seal Bottles
  • {SNA} A-B, A-C,
  • {SNA} Additional Standards, Analytical Standards, Certified Reference Materials (CRMs), Environmental Matrix CRMs (RTC), Fuels and Hydrocarbons, Matrix CRMs, Petrochemical Standards, Underground Storage Tank Hydrocarbon Calibration CRMs, 分析/色谱

产品应用

  • A solvent and isomer of butanol.

相关文献及参考

  • Short: II/25C
  • Merck: 14,1542 Beilstein:1,379
  • Merck: 14,1542
  • For preparation of the Li salt and reaction with an acid chloride as an example of a method for esterification of hindered alcohols, see: Org. Synth. Coll., 6, 259 (1988). A general method for esterification of carboxylic acids using DCC and DMAP is illustrated for t-butyl ethyl fumarate: Org. Synth. Coll., 7, 93 (1990). For use of the same combination for the preparation of t-butyl esters of N-protected amino acids, see: Org. Prep. Proced. Int., 20, 180 (1988). See also Appendix 6.

安全信息

GHS Symbol
WGK Germany1
Hazard Codes 3 F,T
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H370 Causes damage to organs 导致器官损伤
  • H331 Toxic if inhaled 吸入中毒
  • H301 Toxic if swallowed 吞食有毒
  • H311 Toxic in contact with skin 皮肤接触中毒
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSEO1925000
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P303+P361+P353
  • P305+P351+P338
  • P332+P313
  • P337+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S46 If swallowed, seek medical advice immediately and show this container or label 食入时,立即求医并出示容器/标签;
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
Risk Statements
  • R11 Highly flammable 非常易燃
  • R20 Harmful by inhalation 吸入有害
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R39/23/24/25 Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed 毒性:吸入,皮肤接触和吞食都会产生十分严重的不可逆危险
UN Number 1120
Packing GroupII
Storage condition -20°C {LY} -20°C {} {LY} -20°C {} {} {LY} -20°C {} {} {} {LY} -20°C {} {} {} {} {LY} -20°C {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard Class3
Warnings 危化品目录(2015)
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
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-436,1995

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
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-436,1995

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
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 26,75,1979

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
REFERENCE :
   IMSUAI Industrial Medicine and Surgery.  (Northbrook, IL)  V.18-42, 1949-73.
    For publisher information, see IOHSA5.  Volume(issue)/page/year: 41,31,1972

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
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 135,330,1962

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)
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volum

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Parenteral
TEST SYSTEM             : Insect - not otherwise specified
DOSE/DURATION           : 12500 mg/kg
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

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 3500 ppm/7H
SEX/DURATION            : female 1-19 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   12,469,1989

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
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)
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   12,469,1989

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
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)
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 222,294,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 103 gm/kg
SEX/DURATION            : female 6-20 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - stillbirth
   Reproductive - Effects o

Restrict 危险品

其他信息

  • 方法一:其制备方法可以用异丁烯硫酸水合法,以异丁烯与50%~65%硫酸酯化,然后在10~30℃下水解得叔丁醇;也可以用酸性离子交换树脂为催化剂,于110℃、25个大气压(1atm=101325Pa)下进行异丁烯直接水合得到叔丁醇。 叔丁醇钠是用叔丁醇与金属钠反应而制得。
  • 外观性质:无色结晶或液体,有樟脑气味。
  • 叔丁醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80023928 叔丁醇;第三丁醇;三甲基甲醇;2-甲基-2-丙醇 500ml 25.3元 2011/08/23 xp400278 叔丁醇;第三丁醇;三甲基甲醇;2-甲基-2-丙醇 5ml 31.7元 2011/
  • 用途一:用作有机溶剂和化工原料,也是制备药物、香料的原料
  • 蒸气压:31 mm Hg ( 20 °C)
  • 方法二:1.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.丙烯、丁烷共氧化法4.直接水合法以高浓度杂多酸水溶液为催化剂。将混合碳四中的异丁烯选择水合制叔丁醇。
  • 图谱信息:叔丁醇(75-65-0)质谱(MS) 叔丁醇(75-65-0)核磁图( 1 HNMR) 叔丁醇(75-65-0)Raman光谱 叔丁醇(75-65-0)红外图谱(IR2) 叔丁醇(75-65-0)红外图谱(IR1)
  • 刺激数据:皮
  • 用途四:叔丁醇是杀虫剂噻嗪酮、抑食肼、虫酰肼等,杀螨剂哒螨灵,除草剂仲丁灵的重要中间体,叔丁醇钠在农药工业上作为一种重要的醇钠应用,主要用于拟除虫菊酯环合反应。
  • 急性毒性:口服- 大鼠 LD50: 3500 毫克/公斤; 静脉- 小鼠 LD50: 1538 毫克/ 公斤
  • 用途五: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。
  • 防护措施:有毒,毒性介于乙醇和丙醇之间,后效作用比正丁醇和异丁醇强。大鼠经口LD50为3500mg/kg。对中枢神经系统具有麻醉作用,对皮肤粘膜有轻度刺激作用。生产现场要加强通风,生产设备要密闭,防止吸入和接触皮肤。操作人员应戴口罩及橡胶手套。空气中最高容许浓度0.01%。
  • 爆炸物危险特性:与空气混合可爆炸
  • Sigma Aldrich:75-65-0(sigmaaldrich)
  • 用途三:用作有机溶剂,也是制备药物、香料的原料
  • 灭火剂:干粉、二氧化碳、泡沫
  • 毒性分级:中毒
  • 下游产品:氯醚菊酯 --> 氢胺 --> 2-叔丁氧基甲酰氨基吡啶-4-基)甲基 甲磺酸酯 --> 5-溴-7-氮杂吲哚 --> (2-溴-3-吡啶基)氨基甲酸叔丁酯 --> 叔丁基缩水甘油基醚 --> 过氧化苯甲酸叔丁酯 --> 醋酸叔丁酯 --> 2,4-二氯苯氧丁酸 --> 5-叔丁基-苯乙烯 --> 癸二酸二丁酯 --> 二叔丁基过氧化物 --> 过氧化新戊酸叔丁酯 --> 叔丁基异硫酸酯 --> 布康唑 --> 6-叔丁基间甲酚 --> 2,4-二叔丁氧基-5-溴嘧啶 --> 哒嗪酮 --> 过氧化(2-乙基己酸)叔丁酯 --> 尼泊金丁酯 --> 4-叔丁基-2,6-二甲基苄基氯 --> 2-叔丁基对甲苯酚 --> 5-叔丁氧羰基氨基吡啶-3-羧酸 --> 4-溴甲基苯甲酸叔丁酯 --> 抑食肼 --> 硬脂酸丁酯 --> 分散剂 CS --> 2,2'-亚甲基双-(4-甲基-6-叔丁基苯酚) --> (4-甲氧基羰基吡啶-2-基)氨基甲酸酯 --> 3-氯-2-羟基-5-(三氟甲基)吡啶 --> 苄基正丁基醚 --> (Z)-2-(2
  • 用途六:溶

系列性分类


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