3-Methyl-1-Penten-4-yn-3-ol 3-甲基-1-戊烯-4-炔-3-醇

CAS 3230-69-1 MFCD01709006

化学结构图

3230-69-1
SMILES: C#CC(C)(O)C=C

化学属性

Mol. FormulaC6H8O
Mol. Weight96.13 g/mol
Refractive index1.4440 to 1.4470
Boiling Point63-65
Density0.89
Flash Point32°C(lit.)

别名和识别编码

Chemical Name3-Methyl-1-Penten-4-yn-3-ol
Synonym 1-Vinyl-1-ethynyltehanol 2-Vinyl-3-butyn-2-ol 3-METHYL-1-PENTEN-4-YN-3-OL 3-Methyl pent-4-en-l-yn-3-0L 3-Methyl pent-4-en-l-yn-3-ol 3-Methyl-1-penten-4-yn-3-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number3230-69-1
PubChem Substance ID97815
EC Number221-770-6
MDL NumberMFCD01709006
Reaxys-RN1740552
Beilstein Registry Number1740552
Chemical Name Translation3-甲基-1-戊烯-4-炔-3-醇
InChIKeyVBATUBQIYXCZPA-UHFFFAOYSA-N
Wiswesser Line Notation1UU1XQ1&1U1
LabNetwork Molecule IDLN00223817
InChIInChI=1S/C6H8O/c1-4-6(3,7)5-2/h1,5,7H,2H2,3H3
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分类

  • Alkynes, Building Blocks, Chemical Synthesis, Organic Building Blocks, Terminal
  • {SNA} Alkynes, Building Blocks, Chemical Synthesis, Organic Building Blocks, Terminal

相关文献及参考

  • Beil. 1 ,IV,2309

安全信息

GHS Symbol
WGK Germany1
Hazard Codes 3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSSB4950000
Signal word Warning
UN Number 1987
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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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。
  • 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
  • P301+P312+P330
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P305+P351+P338+P337+P313
  • P330 Rinse mouth. 漱口
  • P332+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
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • 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
Packing GroupIII
Hazard Class3 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1350 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 107,459,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 107,459,1953

其他信息

  • 方法一:可用乙炔钙与甲基乙烯酮加成，生成2-乙炔基-1-乙烯基乙醇钙，然后经置换得到该品。
  • Acros Organics:3-甲基-1-戊烯-4-炔-3-醇 3-Methyl-1-penten-4-yn-3-ol, 99%(3230-69-1)
  • MOL 文件:3230-69-1.mol
  • MSDS 信息:Ethynyl methyl vinyl carbinol(3230-69-1).msds
  • 3-甲基-1-戊烯-4-炔-3-醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M1312 3-甲基-1-戊烯-4-炔-3-醇 3-Methyl-1-penten-4-yn-3-ol 5ML 447元 2014/06/02 M1312 3-甲基-1-戊烯-4-炔-3-醇 3-Methyl-1-penten-4-yn-3-ol 25ML 1360元
  • 上游原料:丁烯酮 --> 乙醇钙
  • TCI Shanghai:3-甲基-1-戊烯-4-炔-3-醇 3-Methyl-1-penten-4-yn-3-ol,>;98.0%(GC)(3230-69-1)
  • 图谱信息:3-甲基-1-戊烯-4-炔-3-醇(3230-69-1)质谱(MS) 3-甲基-1-戊烯-4-炔-3-醇(3230-69-1)核磁图( 13 CNMR) 3-甲基-1-戊烯-4-炔-3-醇(3230-69-1)核磁图( 1 HNMR)
  • 用途一:维生素A醋酸酯的中间体。
  • Sigma Aldrich:3230-69-1(sigmaaldrich)

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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