2,3-Butanediol 2,3-丁二醇

CAS 513-85-9 MFCD00004523

化学结构图

513-85-9
SMILES: CC(O)C(C)O

化学属性

Mol. FormulaC4H10O2
Mol. Weight90.12
Density1.002
Boiling Point183-184 °C at 760 mmHg
Melting Point25 °C
Refractive index1.4270 to 1.4420
Flash Point85 ºC
Solubility可溶
pH:A

别名和识别编码

Chemical Name2,3-Butanediol
Synonym 2,3-Butanediol {LY} 2,3-Butanediol 2,3-butanediol 2,3-butylene glycol 2,3-butylene glycol, (R*,R*)-isomer 2,3-butylene glycol, (R*,R*,)-(+-)-isomer 2,3-butylene glycol, (R*,S*)-isomer 2,3-butylene glycol, (S-(R*,R*))-isomer 2,3-butylene glycol, R-(R*,R*)-isomer butane-2,3-diol {} {LY} 2,3-Butanediol {} {} {LY} 2,3-Butanediol {} {} {} {LY} 2,3-Butanediol {} {} {} {} {LY} 2,3-Butanediol {} {} {} {} {} {LY} 2,3-Butanediol {} {} {} {} {} {} {LY} 2,3-Butanediol {} {} {} {} {} {} {} {LY} 2,3-Butanediol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Butanediol {} {} {} {} {} {} {} {} {} {LY} 2,3-Butanediol {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Butanediol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Butanediol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,3-Butanediol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Beilstein Registry Number969165
PubChem Substance ID262
CAS Number513-85-9
EC Number208-173-6
MDL NumberMFCD00004523
Reaxys-RN969165
Merck Number1568
Chemical Name Translation2,3-丁二醇
Wiswesser Line NotationQY1&YQ1
LabNetwork Molecule IDLN00195316
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
Canonical SMILESCC(O)C(O)C
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分类

  • {uni_hamburg} no charge; alcohol; chiral; 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

  • Aldrich MSDS 1 , 301:C / Corp MSDS 1 (1), 601:A / FT-IR 1 (1), 131:C / FT-IR 2 (1), 189:D / FT-NMR 1 (1), 197:A / IR-Spectra (3), 81:F / IR-Spectra (2), 79:B / NMR-Reference 2 (1), 124:A / RegBook 1 (1), 141:C / Sax 6 , 547 / Sigma FT-IR 1 (1), 1335:B / Structure Index 1 , 17:A:1 / Vapor Phase 3 , 192:A
  • Beil. 1 ,IV,2524
  • Merck 14 ,1568
  • 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

安全信息

RTECSEK0532000
WGK Germany1
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word Warning
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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
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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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。
  • P370+P378
  • P403 Store in a well-ventilated place. 储存在通风良好的地方。
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H227 Combustible liquid 可燃液体
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6075 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   49,385,1979

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 {} {} {} {} {} {

其他信息

  • 海关编码:29053980
  • 可燃性危险特性:遇明火、高温、强氧化剂可燃; 燃烧排放刺激烟雾
  • TCI Shanghai:2,3-丁二醇(立体异构体的混合物) 2,3-Butanediol (mixture of stereoisomers),>;97.0%(GC)(513-85-9)
  • 灭火剂:泡沫、干粉、二氧化碳、雾状水、砂土
  • 储运特性:库房通风低温干燥
  • MOL 文件:513-85-9.mol
  • 下游产品:3-羟基-2-丁酮 --> 4,5-二甲基-2-氧代-1,3.2-二氧硫杂戊烷
  • 毒性分级:低毒
  • 外观性质:无色、液体。
  • 类别:易燃液体
  • 图谱信息:2,3-丁二醇(513-85-9)核磁图( 1 HNMR) 2,3-丁二醇(513-85-9)红外图谱(IR1) 2,3-丁二醇(513-85-9)核磁图( 13 CNMR) 2,3-丁二醇(513-85-9)质谱(MS)
  • 急性毒性:口服- 大鼠 LD50: 5462 毫克/ 公斤
  • 用途三:溶剂。有机合成。掺合剂。
  • 用途一:用于制备树脂和用作溶剂等
  • 用途二:2,3-丁二醇用硫酸作催化剂，在140-150℃与乙酸反应2h，生成2,3-丁二醇二乙酸酯可加到奶油中，也可作为吸湿剂、增塑剂和偶联剂。2,3-丁二醇也用作溶剂和合成树脂的原料。
  • Acros Organics:2.3-丁二醇 2,3-Butanediol, mixture of racemic and meso forms, techn., 98%(513-85-9)
  • 方法一:以糖类、糖蜜、麦芽浆或醇母液等为原料，经生物发酵法制得。在糖类发酵制酒精进而制醋时，其中副产乙醛也可在酵母菌作用下生成2,3-丁二醇。
  • 上游原料:环己基氨基磺酸钠
  • 2,3-丁二醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30029280 2，3-丁二醇;2,3-二羟基丁烷 250ml 480元 2011/04/16 B0681 2,3-丁二醇(立体异构体的混和物) 2,3-Butanediol (mixture of stereoisomers) 500G 1920元 2011/04/16 B0681 2,3-丁二醇(立体异构体的混和物) 2,3-Butanediol (mixture of stereoisomers) 25G 240元
  • MSDS 信息:2,3-丁二醇(513-85-9).msds

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. Halogenated Hydrocarbons 卤代烃
  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
  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. Phenols
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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