2-Methyl-1-Buten-3-Yne 2-甲基-1-丁烯-3-炔

CAS 78-80-8 MFCD00008599

化学结构图

78-80-8
SMILES: C#CC(=C)C

化学属性

Mol. FormulaH2C=C(CH3)C≡CH
Mol. Weight66.10
Refractive indexn20/D 1.416(lit.)
Boiling Point32 °C(lit.)
Density0.695 g/mL at 25 °C(lit.)
Melting Point-113 °C (lit.)
Flash Point-45°(-49°F)
TSCANo
Vapor Pressure8.96 psi ( 20 °C)
Solubility微溶于水，可混溶于丙酮、乙醇、苯、四氯化碳。

别名和识别编码

Chemical Name2-Methyl-1-Buten-3-Yne
Synonym 2-Methylbutenyne 2-甲基-1-丁烯-3-炔,97% 2-Methyl-1-buten-3-yen 2-methyl-1-buten-3-yne CH2=C(CH3)CequivCH 2-methyl-1-buten-3-yn Isopropenyl acetylene 2-甲-3-炔-1-丁烯 2-Methyl-1-buten-3-y 2-METHYL-1-BUTEN-3-YNE 2-Methyl-1-butene-3-yne 2-Methyl-1-buten-3-yne,98% 2-methylbut-1-en-3-yne 3-Methyl-1-butyne-3-ene 2-Methyl-1-buten-3-in 2-Methyl-1-butenyne 3-Methyl-3-buten-1-yne Isopropenylacetylene Isopropenylacethylene Valylene 2-METHYLBUT-1-EN-3-YNE 异丙烯基乙炔 1-Buten-3-yne, 2-methyl- 1-Butene-3-yne, 2-methyl- 2-methyl-but-1-en-3-yne ISOPROPENYLACETHYLENE 2-甲基-1-丁烯-3-炔, 97%
CAS Number78-80-8
PubChem Substance ID24896828
EC Number201-144-9
Beilstein Registry Number969175
MDL NumberMFCD00008599
Chemical Name Translation2-甲基-1-丁烯-3-炔
Wiswesser Line Notation1UU1Y1&U1
InChIKeyBOFLDKIFLIFLJA-UHFFFAOYSA-N
LabNetwork Molecule IDLN01289980
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分类

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

相关文献及参考

  • Beil. 1 ,IV,1089
  • Corp MSDS 1 (2), 2311:C / FT-IR 2 (3), 4021:A / FT-NMR 1 (3), 505:A / IR-Spectra (2), 1252:A / IR-Spectra (3), 1434:A / NMR-Reference 2 (2), 950:D / RegBook 1 (2), 2699:A / Sax 6 , 1818 / Structure Index 1 , 425:B:4 / Vapor Phase 3 , 1579:B
  • Short: II/19b Title: Molecular Constants: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Hüttner, W.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19b Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54578-6 ISBN: 978-3-540-54578-1 Internet Resource: DOI:10.1007/b44334 RefComment: XI, 488 pages. Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplement to the earlier volumes II/4, II/6, and II/14. The slight change in the title reflects current trends in the applications of spectroscopic methods. Together, the four volumes collect all the critically evaluated data published up to 1989/90 on constants of free molecules obtained by classical and modern spectroscopy. Volume II/19 is divided into four parts to record the growing number of investigations, especially in the microwave and millimeter wave regions, where modern techniques like Fourier Transform Microwave Spectroscopy have made new objects of interest such as molecular complexes and clusters accessible to study. Subvolume II/19b contains corresponding data on diamagnetic asymmetric top molecules.
  • Short: II/19c Title: Molecular Constants: Dipole Moments, Quadrupole Coupling Constants, Hindered Rotation and Magnetic Constants of Diamagnetic Molecules Author: Demaison, J.; Hüttner, W.; Tiemann, E.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19c Year: 1992 Keywor

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H315 Causes skin irritation 会刺激皮肤
  • H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H224 Extremely flammable liquid and vapour 极端易燃液体和蒸气
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes F+,Xn,F,Xi F+,Xn
RTECSEN0960000
Precautionary statements
  • P301+P310
  • 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。
  • P331 Do NOT induce vomiting.. 不要催吐。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
Signal word Danger
UN Number UN3295 UN 3295 3/PG 1
Risk Statements
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R12 Extremely flammable 极端易燃
  • R65 Harmful: may cause lung damage if swallowed 若吞咽可能伤害肺部器官
Safety Statements
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S62 If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label where possible 吞食后不要催吐：立即求医并出示该容器或标签；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • S3 Keep in a cool place 保存在阴凉处；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
Packing GroupI
Storage condition 2-8°C
Warnings 危化品目录(2015) 危险化学品 
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 8,100,1956

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 350 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   SCCUR* Shell Chemical Company.  Unpublished Report.  (2401 Crow Canyon Rd.,
   San Romon, CA 94583)  Volume(issue)/page/year: -,6,1961

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 639 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   SCCUR* Shell Chemical Company.  Unpublished Report.  (2401 Crow Canyon Rd.,
   San Romon, CA 94583)  Volume(issue)/page/year: -,6,1961

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 12600 mg/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)

其他信息

  • HazardClass:3
  • 外观性质:无色液体，有催泪性。
  • PackingGroup:I
  • 图谱信息:2-甲基-1-丁烯-3-炔(78-80-8)核磁图( 1 HNMR)
  • RTECS号:EN0960000
  • MOL 文件:78-80-8.mol
  • F:10-19-23
  • 2-甲基-1-丁烯-3-炔价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 336480500 2-甲基-1-丁烯-3-炔 2-Methyl-1-buten-3-yne 98% 50 ML 2560元 2010/06/21 336480100 2-甲基-1-丁烯-3-炔 2-Methyl-1-buten-3-yne 98% 10 ML 642元 2010/05/25 L06111 2-甲基-1-丁烯-3-炔, 97% 2-Methyl-1-buten-3-yne, 97% 5g 476元
  • 蒸气压:8.96 psi ( 20 °C)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkynes 炔
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkynes 炔
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkynes 炔
  5. Terminal - Alkynes
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Alkynes 炔
  5. Internal

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