1,3-Propanediol 1,3-丙二醇

CAS 504-63-2 MFCD00002949

化学结构图

504-63-2
SMILES: OCCCO

化学属性

Mol. FormulaC3H8O2
Mol. Weight76.09
Refractive index1.4380 to 1.4410
Boiling Point214 °C at 760 mmHg
Density1.053
Melting Point-27 °C
Vapor Pressure0.8 mmHg ( 20 °C)
Flash Point>99°C
SolubilityMiscible with water, alcohol
TSCAYes
pH-:A
Danger-Level-
Redox-

别名和识别编码

Chemical Name1,3-Propanediol
Synonym 1,3-Propanediol {LY} 1,3-Propanediol {} {LY} 1,3-Propanediol {} {} {LY} 1,3-Propanediol {} {} {} {LY} 1,3-Propanediol {} {} {} {} {LY} 1,3-Propanediol {} {} {} {} {} {LY} 1,3-Propanediol {} {} {} {} {} {} {LY} 1,3-Propanediol {} {} {} {} {} {} {} {LY} 1,3-Propanediol {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number504-63-2
PubChem Substance ID10442
EC Number207-997-3
Beilstein Registry Number1,475
MDL NumberMFCD00002949
Merck Number9714
Chemical Name Translation1,3-丙二醇
Reaxys-RN969155
Wiswesser Line NotationQ3Q
LabNetwork Molecule IDLN00193175
InChIInChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
Canonical SMILESOCCCO
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分类

  • Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols
  • {SA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols

产品应用

  • 抗冻剂。溶剂。有机合成。气相色谱分析标准。

相关文献及参考

  • Used for protection of carbonyl groups as their acetals (1,3-dioxane) derivatives, in the presence of a catalyst, e.g. TsOH: J. Chem. Soc. (C), 244 (1962), pyridine hydrochloride: Bull. Soc. Chim. Fr., 2287 (1972), or Amberlyst. 15: J. Chem. Soc. Perkin 1, 158 (1979). Comparative studies have indicated that formation of acetals from this diol is slower than for ethylene glycol, as is acid catalyzed hydrolysis of the resulting 1,3-dioxanes of aldehydes in comparison with the 1,3-dioxolanes, whereas for ketones the reverse applies: J. Am. Chem. Soc., 80, 6350 (1958); 90, 1249, 1253 (1968). For a review of the preparation of acetals, see: Synthesis, 501 (1981). Conditions have been described for the protection of acrolein using anhydrous HBr in dichloromethane: Org. Synth. Coll., 7, 59 (1990). For use in the preparation of the cyclic acetal of cyclopropenone, see: Org. Synth. Coll., 8, 173 (1993). The product behaves as a 1,3-dipole in cycloaddition reactions, see Benzyl­idenemalononitrile, L02426.
  • Merck: 14,9714 Beilstein:1,475
  • 4. J. Appl. Polym. Sci. 50 , 693, (1993)
  • Merck: 14,9714

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Gloves
RTECSTY2010000
Signal word Warning
Safety Statements
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
  • R38 Irritating to skin 刺激皮肤
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。
  • 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
  • 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.....
  • 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。
  • P332+P313
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P302+P352+P332+P313+P362+P364
  • P403+P235
Hazard Codes Xi
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 {} {} {} {} {} {} {} {} {} {}
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
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: 72,227,1941

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 10930 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCISP* National Cancer Institute Screening Program Data Summary,
   Developmental Therapeutics Program. (Bethesda, MD 20205)
   Volume(issue)/page/year: JAN1986

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
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: 72,227,1941

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 10 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
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: 72,227,1941

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBS

TYPE OF TEST            : DNA damage
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 2100 mg/kg/10W (Continuous)
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   50,87,1984

Restrict -

其他信息

  • Alfa Aesar:1,3-丙二醇,99% 1,3-Propanediol, 99%(504-63-2)
  • 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
  • Acros Organics:1,3-丙二醇 1,3-Propanediol, 98%(504-63-2)
  • MSDS 信息:1,3-丙二醇(504-63-2).msds
  • MOL 文件:504-63-2.mol
  • 外观性质:无色、无臭,具咸味、吸湿性的粘稠液体。
  • 蒸气压:0.8 mm Hg ( 20 °C)
  • 用途二:抗冻剂。溶剂。有机合成。气相色谱分析标准。
  • 毒性分级:低毒
  • Sigma Aldrich:504-63-2(sigmaaldrich)
  • 类别:易燃液体
  • 下游产品:环丙胺 --> 戊二酸 --> 1R,3R-二溴菊酸 --> beta-丙内酯 --> 1,3-二溴丙烷 --> 1,3-丙烷磺内酯 --> S-烯丙醇酮 --> 1,3-二氯丙烷 --> 1R,3R-反式菊酸 --> 2-溴-2-硝基-1,3-丙醇 --> 非氨酯 --> 右旋反式蒈醛酸甲酯 --> 1R-顺式二氯菊酸 --> (1RS,2RS)-2-硝基-1-苯基三亚甲基双醛酸酯
  • 海关编码:29053980
  • 味甜。能与水、乙醇混溶。
  • 灭火剂:泡沫、干粉、二氧化碳、砂土
  • 1,3-丙二醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 AP5040402 1,3-丙二醇 98% 500g 1452元 2011/08/23 LA1082901 1,3-丙二醇;1,3-二羟基丙烷 250g 517元 2011/08/23 K8178002 1.3-丙二醇puriss》99.0% 500ml 1330元
  • 储运特性:库房通风低温干燥
  • 图谱信息:1,3-丙二醇(504-63-2)核磁图( 1 HNMR) 1,3-丙二醇(504-63-2)质谱(MS) 1,3-丙二醇(504-63-2)核磁图( 13 CNMR) 1,3-丙二醇(504-63-2)红外图谱(IR1)
  • 用途一:可用于多种药物、新型聚酯PTT、医药中间体及新型抗氧剂的合成
  • TCI Shanghai:1,3-丙二醇 1,3-Propanediol,>;98.0%(GC)(504-63-2)
  • 急性毒性:口服- 大鼠 LDL0: 10000 毫克/ 公斤; 口服- 小鼠 LD50:4773 毫克/ 公斤

系列性分类


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