(2,2-Dimethyl-1,3-dioxolan-4-yl)methanol 2,2-二甲基-1,3-二氧戊环-4-甲醇

CAS 100-79-8 MFCD00063238

化学结构图

100-79-8
SMILES: CC1(C)OCC(CO)O1

化学属性

Mol. FormulaC6H12O3
Mol. Weight132.16
Refractive index1.4330 to 1.4360
Density1.063
Boiling Point80°C/12mmHg(lit.)
Flash Point80°C(lit.)
TSCAYes
Melting Point-27°C
SolubilityMISCIBLE
Appearance 丙酮缩甘油(100-79-8)为无色液体。沸点 82℃/1.3kPa（10mmHg），24℃/66.7Pa（0.5mmHg），密度1.064，折光率1.4383，闪点 90℃，与水、醇，酯、醚、芳烃互溶。

别名和识别编码

Chemical Name(2,2-Dimethyl-1,3-dioxolan-4-yl)methanol
MDL NumberMFCD00063238
CAS Number100-79-8
Synonym (+/-)-2,2-Dimethyl-1,3-dioxolane-4-methanol ISOPROPYLIDENGLYCEROL Acetone glycerol 2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolane,1,2-Isopropylideneglycerol,Solketal Glycerolacetone 1,2-ISOPROPYLIDENEGLYCEROL Acetone, cyclic (hydroxymethyl)ethylene acetal 胂羧 SOLKETAL (R,S)-ISOPROPYLIDENE GLYCEROL ACETONE KETAL OF GLYCERINE 胂羧/(+/-)-2,2-二甲基-1,3-二氧五环-4-甲醇 (±)-2,2-二甲基-1,3-二氧戊环-4-甲醇 (±)-2,2-二甲基-4-羟甲基-1,3-二氧戊环 丙酮缩甘油 DL-ALPHA,BETA-ISOPROPYLIDENEGLYCEROL 1,2-丙酮缩甘油 Solketal 丙酮縮甘油 LABOTEST-BB LT00233172 2,2-二甲基-1,3-二氧五环-4-甲醇
PubChem Substance ID87567348
Beilstein Registry Number19,65
EC Number202-888-7
Merck Number5213
Chemical Name Translation2,2-二甲基-1,3-二氧戊环-4-甲醇
Reaxys-RN104465
InChIKeyRNVYQYLELCKWAN-UHFFFAOYSA-N
Wiswesser Line NotationT5O COTJ B1 B1 D1Q
LabNetwork Molecule IDLN00196126
InChIInChI=1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3
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分类

  • {SNA} Acetals/Ketals/Ortho Esters, Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds

产品应用

  • 用作单，双和甘油三酯的合成

相关文献及参考

  • Merck:14,5213
  • Merck:14,5213 Beilstein:19,65

安全信息

RTECSJI0400000
WGK Germany1
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Safety Statements
Signal word
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H227 Combustible liquid 可燃液体
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。
  • 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。
  • P305+P351+P338
  • P370+P378
  • P305+P351+P338+P337+P313
  • P403+P235
Storage condition 2-8°C
GHS Symbol 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3740 ug/kg
TOXIC EFFECTS :
   Cardiac - change in rate
   Vascular - BP elevation not characterized in autonomic section
   Vascular - BP lowering not characterized in autonomic section
REFERENCE :
   DECRDP Drugs under Experimental and Clinical Research.  (Bioscience
   Ediprint, Blvd. James-Fazy 13, 1201 Geneva 1, Switzerland)  V.1-    1977-
   Volume(issue)/page/year: 9,895,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 7 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals",
   11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year:
   11,820,1989

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 8530 ug/kg
TOXIC EFFECTS :
   Cardiac - change in rate
   Vascular - BP elevation not characterized in autonomic section
   Vascular - BP lowering not characterized in autonomic section
REFERENCE :
   DECRDP Drugs under Experimental and Clinical Research.  (Bioscience
   Ediprint, Blvd. James-Fazy 13, 1201 Geneva 1, Switzerland)  V.1-    1977-
   Volume(issue)/page/year: 9,895,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals",
   11th ed.,

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 1500 mg/kg
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 21,349,1984

Hazard Codes Xi
Risk Statements

其他信息

  • Acros Organics:2,2-二甲基-1,3-二氧戊环-4-甲醇 Solketal, 97%(100-79-8)
  • 上游原料:甘油 --> 氢氰酸
  • Sigma Aldrich:100-79-8(sigmaaldrich)
  • MOL 文件:100-79-8.mol
  • MSDS 信息:1,2-Isopropylidene-rac-glycerol(100-79-8).msds
  • 方法一:用丙三醇与丙酮在氰化氢作用下缩合制得。
  • 图谱信息:丙酮缩甘油(100-79-8)质谱(MS) 丙酮缩甘油(100-79-8)Raman光谱 丙酮缩甘油(100-79-8)红外图谱(IR1) 丙酮缩甘油(100-79-8)红外图谱(IR2) 丙酮缩甘油(100-79-8)核磁图( 1 HNMR)
  • 丙酮缩甘油价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0710 2,2-二甲基-1,3-二氧环戊环-4-甲醇 2,2-Dimethyl-1,3-dioxolane-4-methanol 500G 844元 2014/06/02 D0710 2,2-二甲基-1,3-二氧环戊环-4-甲醇 2,2-Dimethyl-1,3-dioxolane-4-methanol 25G 163元 2010/06/21 153655000 丙酮缩甘油 Solketal 97% 500 GR 653元
  • 下游产品:羟丙哌嗪 --> 3-乙氧基-1,2-丙二胺 --> 苄基缩水甘油醚 --> 2-甲基-2-丙烯酸-2,3-二羟基丙酯
  • F:10
  • TCI Shanghai:2,2-二甲基-1,3-二氧戊环-4-甲醇 2,2-Dimethyl-1,3-dioxolane-4-methanol,>;98.0%(GC)(100-79-8)
  • 用途一:鲨肝醇的中间体。万能溶剂、增塑剂、药用辅料（助溶剂、悬浮剂）。
  • Alfa Aesar:2,2-二甲基-4-羟甲基-1,3-二氧环戊烷,97% Solketal, 97%(100-79-8)
  • 海关编码:29329970

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
  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. Acetals/Ketals/Ortho Esters - 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. Alcohols - Oxygen Compounds
  6. C2 to C6 - Alcohols
  1. Chemical Synthesis 化学合成
  2. Specialty Synthesis 特殊合成技术
  3. Solid Supported Synthesis - Specialty Synthesis
  4. Supported Reagents - Solid Supported Synthesis
  5. Others - Supported Reagents
  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
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Dioxanes & Dioxolanes

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