3,5-Dimethylhex-1-yn-3-ol 3,5-二甲基-1-己炔-3-醇

CAS 107-54-0 MFCD00008941

化学结构图

107-54-0
SMILES: C#CC(C)(O)CC(C)C

化学属性

Mol. FormulaC8H14O
Mol. Weight126.20
Density0.859
Refractive index1.4340 to 1.4360
Vapor Density4.34 (vs air)
Boiling Point150-151°C at 760 mmHg
Vapor Pressure4.5 mmHg ( 20 °C)
Flash Point44°C
Appearance 无色液体。凝固点-68℃，沸点150-151℃，相对密度0.8545（20/20℃），闪点44℃。微溶于水。有樟脑气味。
Melting Point-39 °C

别名和识别编码

Chemical Name3,5-Dimethylhex-1-yn-3-ol
CAS Number107-54-0
EC Number203-500-9
Beilstein Registry Number2384789
MDL NumberMFCD00008941
Synonym 3,5-Dimethylhex-1-yn-3-ol {LY} 3,5-Dimethylhex-1-yn-3-ol {} {LY} 3,5-Dimethylhex-1-yn-3-ol {} {} {LY} 3,5-Dimethylhex-1-yn-3-ol {} {} {} {LY} 3,5-Dimethylhex-1-yn-3-ol {} {} {} {} {LY} 3,5-Dimethylhex-1-yn-3-ol {} {} {} {} {} {LY} 3,5-Dimethylhex-1-yn-3-ol {} {} {} {} {} {} {LY} 3,5-Dimethylhex-1-yn-3-ol {} {} {} {} {} {} {} {LY} 3,5-Dimethylhex-1-yn-3-ol {} {} {} {} {} {} {} {} {LY} 3,5-Dimethylhex-1-yn-3-ol {} {} {} {} {} {} {} {} {} {LY} 3,5-Dimethylhex-1-yn-3-ol {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dimethylhex-1-yn-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dimethylhex-1-yn-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dimethylhex-1-yn-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dimethylhex-1-yn-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,5-Dimethylhex-1-yn-3-ol {} {} {} {} {} {}
PubChem Substance ID61018
Reaxys-RN1720735
Chemical Name Translation3,5-二甲基-1-己炔-3-醇
LabNetwork Molecule IDLN00224508
InChIInChI=1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3
Canonical SMILESC#CC(O)(C)CC(C)C
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分类

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

相关文献及参考

  • Short: IV/8G Title: Densities of Alcohols Author: Frenkel, M.; Hong, X.; Wilhoit, R.C.; Hall, K.R. Editor: Hall, K.R.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8G Year: 2000 Keyword: organic compounds; density; liquids ISBN: 3-540-66233-2 ISBN: 978-3-540-66233-4 Internet Resource: DOI:10.1007/b75928 RefComment: XI, 413 pages, with CD-ROM, Hardcover
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Signal word Danger
GHS Symbol
WGK Germany3
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；
  • S36/37/39 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；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R10 Flammable 易燃
  • 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 Irritating to eyes 刺激眼睛
  • 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
  • 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。
  • P301+P310
  • P302+P352+P312+P362+P364
  • P303+P361+P353
  • P305+P351+P338
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P332+P313
  • P370+P378
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301+H311+H331
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H319 Causes serious eye irritation 严重刺激眼睛
  • 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
Hazard Codes 3 T
UN Number 1986 1987 UN 1986 3/PG 3
Packing GroupIII
Hazard Class3
Storage condition 2-8°C {LY} 2-8°C Flammables area {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • 图谱信息:3,5-二甲基-1-己炔-3-醇 (107-54-0)红外图谱(IR2) 3,5-二甲基-1-己炔-3-醇 (107-54-0)红外图谱(IR1) 3,5-二甲基-1-己炔-3-醇 (107-54-0)核磁图( 13 CNMR) 3,5-二甲基-1-己炔-3-醇 (107-54-0)Raman光谱 3,5-二甲基-1-己炔-3-醇 (107-54-0)质谱(MS)
  • 用途一:可用作易挥发性表面活性剂、减粘剂、阻凝剂、除草剂、破乳剂、玻璃清洁剂、石蜡添加剂、消泡剂、湿润剂的中间体。也可用作溶剂、有机化合物氯化作用的稳定剂。
  • 方法一:该品与其他炔属醇的生产方法有共同之处，可由乙炔与酮或醛反应而得。
  • 蒸气密度:4.34 (vs air)
  • 蒸气压:4.5 mm Hg ( 20 °C)
  • TCI Shanghai:3,5-二甲基-1-己炔-3-醇 3,5-Dimethyl-1-hexyn-3-ol,>;98.0%(GC)(107-54-0)
  • MOL 文件:107-54-0.mol
  • Sigma Aldrich:107-54-0(sigmaaldrich)
  • 检测方法:GC,NMR
  • 上游原料:四氢呋喃 --> 叔丁醇钾 --> 4-甲基-2-戊酮 --> 乙炔
  • Acros Organics:3，5-二甲基-1-己炔-3-醇 3,5-Dimethyl-1-hexyn-3-ol, 99%(107-54-0)

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. Oxygen Compounds 氧化合物
  5. Alcohols - Oxygen Compounds
  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. Chemicals by Class 化学分类法
  4. Acetylenes 炔烃

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