Hexane-2,5-diol 2,5-己二醇

CAS 2935-44-6 MFCD00004557

化学结构图

2935-44-6
SMILES: CC(O)CCC(C)O

化学属性

Mol. FormulaC6H14O2
Mol. Weight118.17
Refractive index1.4460 to 1.4490
Boiling Point216-218 °C at 760 mmHg
Density0.961 g/mL at 25 °C(lit.)
Flash Point110°C(lit.)
TSCAYes
Solubility可溶
Melting Point43 °C

别名和识别编码

Chemical NameHexane-2,5-diol
Synonym Hexane-2,5-diol {LY} Hexane-2,5-diol {} {LY} Hexane-2,5-diol {} {} {LY} Hexane-2,5-diol {} {} {} {LY} Hexane-2,5-diol {} {} {} {} {LY} Hexane-2,5-diol {} {} {} {} {} {LY} Hexane-2,5-diol {} {} {} {} {} {} {LY} Hexane-2,5-diol {} {} {} {} {} {} {} {LY} Hexane-2,5-diol {} {} {} {} {} {} {} {} {LY} Hexane-2,5-diol {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Hexane-2,5-diol {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,5-diol {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,5-diol {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,5-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,5-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,5-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,5-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,5-diol {} {} {} {} {} {} {} {} {}
CAS Number2935-44-6
PubChem Substance ID87570546
EC Number220-910-3
Beilstein Registry Number1,485
MDL NumberMFCD00004557
Reaxys-RN1719248
Chemical Name Translation2,5-己二醇
Wiswesser Line NotationQY1&2YQ1
InChIKeyOHMBHFSEKCCCBW-UHFFFAOYSA-N
LabNetwork Molecule IDLN00224791
InChIInChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3
Canonical SMILESCC(O)CCC(O)C
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分类

  • Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols
  • {uni_hamburg} no charge; alcohol; 1fragment
  • {SA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols

相关文献及参考

  • Beil. 1 ,IV,2562
  • Aldrich MSDS 1 , 1029:B / Corp MSDS 1 (1), 1857:B / FT-IR 2 (1), 194:A / FT-IR 1 (1), 134:D / FT-NMR 1 (1), 203:B / IR-Spectra (3), 82:H / IR-Spectra (2), 79:H / NMR-Reference 2 (1), 126:C / RegBook 1 (1), 143:G / Sax 6 , 1525 / Structure Index 1 , 17:A:6 / Vapor Phase 3 , 196:C
  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn
RTECSMO2275000
Precautionary statements
  • 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。
  • 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
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
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 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAFCAU Journal of Agricultural and Food Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC
   20037)  V.1-    1953-  Volume(issue)/page/year: 23,418,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4846 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 45,669,1956

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 16300 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 30,63,1948

其他信息

  • Sigma Aldrich:2935-44-6(sigmaaldrich)
  • MOL 文件:2935-44-6.mol
  • 下游产品:2,5-二甲基-2,4-己二烯 --> 2,5-二甲基-2,5-己二醇
  • TCI Shanghai:2,5-己二醇 2,5-Hexanediol,>;98.0%(GC)(2935-44-6)
  • Acros Organics:2,5-已醇 2,5-Hexanediol, pract., 98%(2935-44-6)
  • 2,5-己二醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0100 2,5-己二醇 2,5-Hexanediol 25ML 688元 2010/06/21 411580050 2,5-己二醇 2,5-Hexanediol 98%, pract. 5 GR 654元 2010/05/25 B25470 2,5-己烷二醇, 98% 2,5-Hexanediol, mixture of isomers, 98% 50g 623元
  • 图谱信息:2,5-己二醇(2935-44-6)红外图谱(IR2) 2,5-己二醇(2935-44-6)红外图谱(IR1)
  • Alfa Aesar:2,5-己烷二醇,98% 2,5-Hexanediol, mixture of isomers, 98%(2935-44-6)

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. 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. Oxygen Compounds 氧化合物
  5. Polyols - Oxygen Compounds

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