2,4-Pentanediol 2,4-戊二醇

CAS 625-69-4 MFCD00004549

化学结构图

625-69-4
SMILES: CC(O)CC(C)O

化学属性

Mol. FormulaC5H12O2
Mol. Weight104.15
Density0.95 g/mL at 25 °C(lit.)
Boiling Point201-202 °C at 760 mmHg
Refractive index1.4330 to 1.4370
Flash Point101°C(lit.)
TSCANo
Melting Point52.5 °C

别名和识别编码

Chemical Name2,4-Pentanediol
Beilstein Registry Number1,482
PubChem Substance ID12262
CAS Number625-69-4
EC Number210-907-5
MDL NumberMFCD00004549
Reaxys-RN969186
Synonym Pentane-2,4-diol {LY} Pentane-2,4-diol {} {LY} Pentane-2,4-diol {} {} {LY} Pentane-2,4-diol {} {} {} {LY} Pentane-2,4-diol {} {} {} {} {LY} Pentane-2,4-diol {} {} {} {} {} {LY} Pentane-2,4-diol {} {} {} {} {} {} {LY} Pentane-2,4-diol {} {} {} {} {} {} {} {LY} Pentane-2,4-diol {} {} {} {} {} {} {} {} {LY} Pentane-2,4-diol {} {} {} {} {} {} {} {} {} {LY} Pentane-2,4-diol {} {} {} {} {} {} {} {} {} {} {LY} Pentane-2,4-diol {} {} {} {} {} {} {} {} {} {} {} {LY} Pentane-2,4-diol {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentane-2,4-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentane-2,4-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentane-2,4-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentane-2,4-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Pentane-2,4-diol {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation2,4-戊二醇
Wiswesser Line NotationQY&1YQ
LabNetwork Molecule IDLN00193987
InChIInChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3
Canonical SMILESCC(O)CC(O)C
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分类

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

相关文献及参考

  • Beil. 1 ,IV,2543
  • Aldrich MSDS 1 , 1436:A / Corp MSDS 1 (2), 2711:D / FT-IR 2 (1), 191:D / FT-IR 1 (1), 132:C / FT-NMR 1 (1), 200:A / IR-Spectra (2), 79:E / IR-Spectra (3), 82:B / NMR-Reference 2 (1), 125:C / RegBook 1 (1), 141:L / Sax 6 , 2133 / Structure Index 1 , 17:B:3 / Vapor Phase 3 , 193:D
  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • 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

安全信息

WGK Germany2
RTECSSA0490000
Personal Protective Equipment Eyeshields, Gloves
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 14100 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 10,61,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 5792 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       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6860 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 10,61,1954

其他信息

  • 2,4-戊二醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0670 2,4-戊二醇 2,4-Pentanediol 500G 5200元 2014/06/02 P0670 2,4-戊二醇 2,4-Pentanediol 25G 534元 2010/05/25 L01779 2,4-戊二醇, DL + meso isomers, 99% 2,4-Pentanediol, (±) + meso, 99% 50g 1204元
  • MOL 文件:625-69-4.mol
  • TCI Shanghai:2,4-戊二醇 2,4-Pentanediol,>;98.0%(GC)(625-69-4)
  • Sigma Aldrich:625-69-4(sigmaaldrich)
  • 图谱信息:2,4-戊二醇(625-69-4)核磁图( 13 CNMR) 2,4-戊二醇(625-69-4)红外图谱(IR1) 2,4-戊二醇(625-69-4)红外图谱(IR2) 2,4-戊二醇(625-69-4)质谱(MS)
  • 敏感性:Hygroscopic
  • Alfa Aesar:2,4-戊二醇,DL+mesoisomers,99% 2,4-Pentanediol, (±) + meso, 99%(625-69-4)

系列性分类


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