3-Buten-2-ol 3-丁烯-2-醇

CAS 598-32-3 MFCD00004543

化学结构图

598-32-3
SMILES: C=C[C@@H](C)O

化学属性

Mol. FormulaC4H8O
Mol. Weight72.11
Boiling Point96-97
Density0.832
Refractive index1.4100 to 1.4160
Flash Point16°C(lit.)
TSCAYes
Melting Point<-100°

别名和识别编码

Chemical Name3-Buten-2-ol
CAS Number598-32-3
Alfabeta NameBUTENOL 32---
MDL NumberMFCD00004543
Synonym (R,S)-But-3-en-2-ol (±)-1-Buten-3-ol (±)-3-Buten-2-ol (±)-but-3-en-2-ol 1-BUTEN-3-OL 1-Buten-3-ol~Methyl vinyl carbinol 1-Methyl-2-propenol 2-Hydroxy-3-butene 2-Methyl-2-propenol 3-BUTEN-2-OL 3-BUTENE-2-OL 3-Buten-2-ol (1-3) 3-Buten-2-ol,98% 3-Butene-2-ol 3-Hydroxy-1-butene 3-buten-2-ol 3-丁烯-2-醇 3-丁烯-2-醇,97% 3-丁烯-2-醇,98% But-3-en-2-ol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number209-929-8
Beilstein Registry Number1,441
PubChem Substance ID87563696
Reaxys-RN1361410
Chemical Name Translation3-丁烯-2-醇
InChIKeyMKUWVMRNQOOSAT-UHFFFAOYSA-N
Wiswesser Line NotationQY1&1U1
LabNetwork Molecule IDLN00116632
Canonical SMILESCC(O)C=C
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分类

  • {SNA} A-F, Al
  • {SNA} Acyclic, Alkenes, Building Blocks, Chemical Synthesis, Organic Building Blocks
  • {SNA} A-F, Alcohol, Alphabetical Index of Analytical Standards, Analytical Standards, B, BI - BZ, Chromatography, Food & Beverage Standards, 分析/色谱, 化合物分类, 按字母排序, 香精香料
  • {SNA} A-F, Alcohol, All Alphabetically Sorted, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, B, BI - BZ, Chromatography,
  • {SNA} A-F,

相关文献及参考

  • 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 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54893-9 ISBN: 978-3-540-54893-5 Internet Resource: DOI:10.1007/b44435 RefComment: 8 figs., XI, 295 pages. Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplem

安全信息

Warnings TOXIC, FLAMMABLE
Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服;
  • S20 When using do not eat or drink 使用时,不得进食,饮水;
  • S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染;
  • 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);
  • 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
Precautionary statements
  • 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。
  • 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。
  • P305+P351+P338
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P303+P361+P353
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P302+P352+P310+P361+P364
  • 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。
RTECSEM9275050
Packing GroupII
UN Number 1987
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H332 Harmful if inhaled 吸入有害
  • H315 Causes skin irritation 会刺激皮肤
  • 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
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn;F
Hazard Class3/6.1
Storage condition 2-8°C Flammables area
TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Human
DOSE/DURATION           : 50 ppm
TOXIC EFFECTS :
   Sense Organs and Special Senses (Olfaction) - tumors
   Sense Organs and Special Senses (Eye) - effect, not otherwise specified
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 28,262,1946

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 50 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 93,305,1982

其他信息

  • 图谱信息:3-丁烯-2-醇(598-32-3)质谱(MS) 3-丁烯-2-醇(598-32-3)核磁图( 1 HNMR) 3-丁烯-2-醇(598-32-3)核磁图( 13 CNMR) 3-丁烯-2-醇(598-32-3)红外图谱(IR1) 3-丁烯-2-醇(598-32-3)Raman光谱
  • 可燃性危险特性:易燃
  • 下游产品:
  • 储运特性:库房通风低温干燥; 与氧化剂分开储运
  • 毒性分级:剧毒
  • Alfa Aesar:3-丁烯-2-醇,97% 3-Buten-2-ol, 97%(598-32-3)
  • 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 2014/06/02 B0695 1-丁烯-3-醇 1-Buten-3-ol 25ML 720元 2010/06/21 387070050 3-丁烯-2-醇 3-Buten-2-ol 97% 5 ML 266元 2010/06/21 387070250 3-丁烯-2-醇 3-Buten-2-ol 97% 25 ML 918元
  • 类别:易燃液体
  • 急性毒性:口服-大鼠 LD50: 34 毫克/公斤; 口服-小鼠 LD50: 30 毫克/公斤
  • Sigma Aldrich:598-32-3(sigmaaldrich)
  • TCI Shanghai:3-丁烯-2-醇 1-Buten-3-ol,>;97.0%(GC)(598-32-3)
  • MOL 文件:598-32-3.mol
  • Acros Organics:3-丁烯-2-醇 3-Buten-2-ol, 99%(598-32-3)
  • 灭火剂:干粉, 二氧化碳, 水, 泡沫

系列性分类


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