(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


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