2-Methyl-3-buten-2-ol 2-甲基-3-丁烯-2-醇

CAS 115-18-4 MFCD00004470

化学结构图

115-18-4
SMILES: C=CC(C)(C)O

化学属性

Mol. FormulaC5H10O
Mol. Weight86.13
Density0.824
Refractive index1.4160 to 1.4190
Boiling Point98-99 °C at 760 mmHg
Vapor Pressure51 mmHg ( 25 °C)
Flash Point12.8±4.2 °C
TSCAYes
Melting Point-43 °C

别名和识别编码

Chemical Name2-Methyl-3-buten-2-ol
CAS Number115-18-4
EC Number204-068-4
Beilstein Registry Number1698263
MDL NumberMFCD00004470
Synonym 2-Methylbut-3-en-2-ol {LY} 2-Methylbut-3-en-2-ol {} {LY} 2-Methylbut-3-en-2-ol {} {} {LY} 2-Methylbut-3-en-2-ol {} {} {} {LY} 2-Methylbut-3-en-2-ol {} {} {} {} {LY} 2-Methylbut-3-en-2-ol {} {} {} {} {} {LY} 2-Methylbut-3-en-2-ol {} {} {} {} {} {} {LY} 2-Methylbut-3-en-2-ol {} {} {} {} {} {} {} {LY} 2-Methylbut-3-en-2-ol {} {} {} {} {} {} {} {} {LY} 2-Methylbut-3-en-2-ol {} {} {} {} {} {} {} {} {} {LY} 2-Methylbut-3-en-2-ol {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbut-3-en-2-ol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbut-3-en-2-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbut-3-en-2-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbut-3-en-2-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbut-3-en-2-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methylbut-3-en-2-ol
PubChem Substance ID87572274
Reaxys-RN1698263
Chemical Name Translation2-甲基-3-丁烯-2-醇
Wiswesser Line NotationQXI&I&IUI
LabNetwork Molecule IDLN00223351
Canonical SMILESCC(O)(C)C=C
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分类

  • {SNA} Alcoholic & Nonalcoholic Beverages, All Alphabetically Sorted, Alphabetical, Analytical Standards, Analytical/Chromatography, Cabbage,
  • {SNA} Alcoholic & Nonalcoholic Beverages, Alphabetical, Analytical Standards, Cabbage, Chromatography, Coffee, Food & Beverage Standards, Fruits, Herbs & Spices, Hop, Humulus, I - M, Isoprenoids, Life Sciences Standards, M-R, Mango,
  • {SNA} Alcoholic & Nonalc
  • {SNA} Alphabetical Listings, Flavors and Fragrances, I-N, Kosher Certified Products, M-N

产品应用

  • 主要用于生产异植物醇(VE主要中间体),DV菊酸(菊酯中间体),合成维生素A、类胡萝卜素中间体,合成橡胶单体和香料,亦用于有机合成,甲基丁烯醇是防治森林害虫(甲虫)信息素的主要成份。

相关文献及参考

  • Esters of this alcohol have been used as a means of carboxyl protection. They can be cleaved with Pd(II) in the presence of triphenylphosphine, triethylamine and formic acid: J. Org. Chem., 57, 1647 (1992).
  • Short: IV/18B
  • Short: III/35E
  • Beilstein:1(2)484
  • Short: III/38B

安全信息

Signal word Danger
GHS Symbol
WGK Germany1
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
Risk Statements
  • R11 Highly flammable 非常易燃
  • R22 Harmful if swallowed 吞咽有害
  • R36 Irritating to eyes 刺激眼睛
  • 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
Precautionary statements
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P301+P312+P330
  • P303+P361+P353
  • P305+P351+P338
  • P308+P313
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSEM9472000
Packing GroupII
UN Number 1987
Hazard Codes 3
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Flammables area {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°
Hazard Class3
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 435 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 51(5),61,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including
   Medicinal Chemistry. (Publications & Information Directorate, Council of
   Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012,
   India)  V.14B-    1976-  Volume(issue)/page/year: 14,449,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1315 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PLMEAA Planta Medica.  (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart
   1, Fed. Rep. Ger.) V.1-    1953-  Volume(issue)/page/year: 48,120,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1680 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue

其他信息

  • Alfa Aesar:2-甲基-3-丁烯-2-醇,98% 2-Methyl-3-buten-2-ol, 98%(115-18-4)
  • Acros Organics:2-甲基-3-丁烯-2-醇 2-Methyl-3-buten-2-ol, 97%(115-18-4)
  • 图谱信息:2-甲基-3-丁烯-2-醇(115-18-4)核磁图( 13 CNMR) 2-甲基-3-丁烯-2-醇(115-18-4)质谱(MS) 2-甲基-3-丁烯-2-醇(115-18-4)Raman光谱 2-甲基-3-丁烯-2-醇(115-18-4)核磁图( 1 HNMR) 2-甲基-3-丁烯-2-醇(115-18-4)红外图谱(IR2) 2-甲基-3-丁烯-2-醇(115-18-4)红外图谱(IR1)
  • 蒸气压:51 mm Hg ( 25 °C)
  • 2-甲基-3-丁烯-2-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 A13681603 2-甲基-3-丁烯-2-醇;二甲基乙烯基甲醇;1,1-二甲基烯丙醇;3-羟基-3-甲基丁烯 500ml 345元 2011/04/16 M0178 2-甲基-3-丁烯-2-醇 2-Methyl-3-buten-2-ol 500ML 418元 2011/04/16 M0178 2-甲基-3-丁烯-2-醇 2-Methyl-3-buten-2-ol 25ML 155元
  • 外观性质:无色或微黄色透明液体,有特殊刺激性气味,易溶于水、醇、醚、苯、氯仿和脂肪酸等。为一级易燃品,与水形成共沸物密度:0.82 熔点:-43℃ 沸点:98-99℃ 折光率n20/D :1.416-1.418 闪点:13℃
  • MOL 文件:115-18-4.mol
  • Sigma Aldrich:115-18-4(sigmaaldrich)
  • 有特殊刺激性气味,易溶于水、醇、醚、苯、氯仿和脂肪酸等。为一级易燃品,与水形成共沸物。水中溶解度:100 g/l (20 C)。
  • 用途一:主要用于生产维生素E、维生素K1、维生素A等
  • TCI Shanghai:2-甲基-3-丁烯-2-醇 2-Methyl-3-buten-2-ol,>;98.0%(GC)(115-18-4)
  • 海关编码:29052990
  • 用途二:主要用于生产异植物醇(VE主要中间体),DV菊酸(菊酯中间体),合成维生素A、类胡萝卜素中间体,合成橡胶单体和香料,亦用于有机合成,甲基丁烯醇是防治森林害虫(甲虫)信息素的主要成份。
  • MSDS 信息:2-Methyl-3-buten-2-ol(115-18-4).msds

系列性分类


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