2-Methyl-3-butyn-2-ol 2-甲基-3-丁炔-2-醇

CAS 115-19-5 MFCD00004467

化学结构图

115-19-5
SMILES: C#CC(C)(C)O

化学属性

Mol. FormulaC5H8O
Mol. Weight84
Density0.868
Refractive index1.4200 to 1.4230
Boiling Point104
Melting Point2.6
Flash Point22°(72°F)
TSCAYes
Autoignition Point662 °F
Vapor Pressure15 mmHg ( 20 °C)
Solubility与水混溶,可混溶于丙酮、苯、四氯化碳、石油醚。
Danger-Level甲类

别名和识别编码

Chemical Name2-Methyl-3-butyn-2-ol
CAS Number115-19-5
Alfabeta NameMETHYLBUTYNOL 232-----
MDL NumberMFCD00004467
Synonym 1,1-Dimethyl-2-propyn-1-ol 1,1-dimethylpropargylalcohol 1,1-dimethylpropynol 2-Hydroxy-2-methyl-3-butin 2-Methyl-3-butyne-2-ol 2-Methylbut-3-in-2-ol 2-methylbut-3-yn-2-ol 2-甲基-3-丁炔-2-醇 3-Butyn-2-ol, 2-methyl- 3-METHYL-1-BUTYN-3-OL 3-Methyl-1-butyn-3-ol 3-Methyl-3-hydroxy-1-butyne 3-Methyl-butin-(1)-ol-(3) 3-Methylbut-1-yn-3-ol 3-羥-3-甲-1-丁炔 AB 32 (alcohol) Dimethyl ethynyl carbinol,2,2-Dimethylpropargyl alcohol Dimethyl ethynyl carbinol; 2,2-Dimethylpropargyl alcohol Dimethylethynylmethanol Ethinyl-dimethylca Ethynyldimethylcarbinol alpha,alpha-Dimethylpropargyl alcohol {} {} {} {} {C {} {} {} {} {Chemicalbook} {} {} {} {} {uni_hambur α,α-Dimethylpropargyl alcohol
EC Number204-070-5
Beilstein Registry Number635746
PubChem Substance ID8258
Reaxys-RN635746
Merck Number6034
Chemical Name Translation2-甲基-3-丁炔-2-醇
Wiswesser Line NotationQX1&1&1UU1
LabNetwork Molecule IDLN00175014
InChIInChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3
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分类

  • Alkynes, Building Blocks, Chemical Synthesis, Organic Building Blocks, Terminal
  • {uni_hamburg} no charge; alcohol; 1fragment
  • {SNA} Alkynes, Building Blocks, Chemical Synthesis, Organic Building Blocks, Terminal

相关文献及参考

  • Alternatively, the protecting group can be removed from the intermediate by base to give monoarylacetylenes: J. Org. Chem., 48, 5135 (1983); 57, 6998 (1992). For an improved procedure, see: Synthesis, 589 (1996).
  • Adduct of acetylene and acetone which acts as an acetylene equivalent in the Pd-catalyzed (Sonogashira) coupling reaction with aryl or heteroaryl halides, permitting a one-pot diarylation by different halides: Synthesis, 571 (1984):
  • Short: III/38B
  • Merck:14,6034
  • Short: IV/18B
  • Merck:14,6034 Beilstein:1(1)235

安全信息

Warnings 危化品目录(2015) IRRITANT
GHS Symbol
WGK Germany1
Hazard Codes 3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H351 Suspected of causing cancer 怀疑致癌
  • H318 Causes serious eye damage 严重伤害眼睛
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
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。
  • 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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • 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
  • P304+
  • P305+P351+P338
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • 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;
  • S36/37/39 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;
  • S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护;
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
Risk Statements
  • R10 Flammable 易燃
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
RTECSES0810000
UN Number 1987
Packing GroupII
Hazard Class3
Storage condition Flammables area
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 31(4),55,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1161 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 76,181,1956

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2 gm/m3
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 31(4),55,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1950 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than

Restrict 危险品

其他信息

  • TCI Shanghai:2-甲基-3-丁炔-2-醇 3-Methyl-1-butyn-3-ol (=2-Methyl-3-butyn-2-ol),>;98.0%(GC)(115-19-5)
  • 毒性分级:中毒
  • 和水混溶,和丙酮、苯、溶纤剂、四氯化碳、环己烷、乙二醇、乙酸乙酯、煤油、甲基乙基酮、矿物醇、一乙醇胺、渣滓油、石油醚、豆油、斯托达德溶液混溶。
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • MOL 文件:115-19-5.mol
  • 用途一:用作合成医药、农药、萜烯类香料的中间体,酸蚀抑制剂、粘度稳定剂、减粘剂等
  • 检测方法:GC,NMR
  • Alfa Aesar:2-甲基-3-丁炔-2-醇,98% 2-Methyl-3-butyn-2-ol, 98%(115-19-5)
  • 类别:易燃液体
  • MSDS 信息:2-甲基-3-丁炔-2-醇(115-19-5).msds
  • 海关编码:29052990
  • 上游原料:丙酮 --> 乙炔
  • 外观性质:无色、有芳香气味的液体。
  • Acros Organics:2-甲基-3-丁炔-2-醇 2-Methyl-3-butyn-2-ol, 98%(115-19-5)
  • 3-甲基丁炔醇-3价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0180 3-甲基-1-丁炔-3-醇(=2-甲基-3-丁炔-2-醇) 3-Methyl-1-butyn-3-ol (=2-Methyl-3-butyn-2-ol) 500ML 384元 2014/06/02 M0180 3-甲基-1-丁炔-3-醇(=2-甲基-3-丁炔-2-醇) 3-Methyl-1-butyn-3-ol (=2-Methyl-3-butyn-2-ol) 25ML 118元 2010/06/21 156820010 3-甲基丁炔醇-3 2-Methyl-3-butyn-2-ol 98% 1 LT 753元
  • 下游产品:2-甲基-2-丁醇 --> 2,5-二甲基-2,5-己二醇
  • 蒸气压:15 mm Hg ( 20 °C)
  • 图谱信息:3-甲基丁炔醇-3(115-19-5)红外图谱(IR1) 3-甲基丁炔醇-3(115-19-5)红外图谱(IR2) 3-甲基丁炔醇-3(115-19-5)核磁图( 1 HNMR) 3-甲基丁炔醇-3(115-19-5)Raman光谱 3-甲基丁炔醇-3(115-19-5)质谱(MS) 3-甲基丁炔醇-3(115-19-5)核磁图( 13 CNMR)
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类分开存放
  • 急性毒性:口服- 大鼠 LD50: 1950 毫克/ 公斤; 口服- 小鼠 LD50: 500 毫克/ 公斤
  • Sigma Aldrich:115-19-5(sigmaaldrich)
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 遇热分解有毒刺激烟雾

系列性分类


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