2-Benzyl-1,3-Dioxolane 2-苄基-1,3-二氧戊环

CAS 101-49-5 MFCD00003215

化学结构图

101-49-5
SMILES: c1ccc(CC2OCCO2)cc1

化学属性

Mol. FormulaC10H12O2
Mol. Weight164.20
Refractive index1.5200 to 1.5220
Boiling Point115 °C at 760 mmHg
Flash Point108°C(lit.)

别名和识别编码

Chemical Name2-Benzyl-1,3-Dioxolane
MDL NumberMFCD00003215
CAS Number101-49-5
Synonym 2-Benzyl-1,3-dioxolane {LY} 2-Benzyl-1,3-dioxolane {} {LY} 2-Benzyl-1,3-dioxolane {} {} {LY} 2-Benzyl-1,3-dioxolane {} {} {} {LY} 2-Benzyl-1,3-dioxolane {} {} {} {} {LY} 2-Benzyl-1,3-dioxolane {} {} {} {} {} {LY} 2-Benzyl-1,3-dioxolane {} {} {} {} {} {} {LY} 2-Benzyl-1,3-dioxolane {} {} {} {} {} {} {} {LY} 2-Benzyl-1,3-dioxolane {} {} {} {} {} {} {} {} {LY} 2-Benzyl-1,3-dioxolane {} {} {} {} {} {} {} {} {} {LY} 2-Benzyl-1,3-dioxolane {} {} {} {} {} {} {} {} {} {} {LY} 2-Benzyl-1,3-dioxolane {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Benzyl-1,3-dioxolane {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Benzyl-1,3-dioxolane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Benzyl-1,3-dioxolane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Benzyl-1,3-dioxolane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Benzyl-1,3-dioxolane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Benzyl-1,3-dioxolane {} {} {} {} {} {} {} {} {} {
Reaxys-RN117974
Beilstein Registry Number19(3/4)220
PubChem Substance ID87564324
Chemical Name Translation2-苄基-1,3-二氧戊环
Wiswesser Line NotationT5O COTJ B1R
InChIKeySSZACLYPEFCREM-UHFFFAOYSA-N
LabNetwork Molecule IDLN01740484
InChIInChI=1S/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2
Canonical SMILESC1=CC=C(C=C1)CC2OCCO2
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; carbocycle; aromatic; alicycle; 5ring; 6ring; 1fragment

相关文献及参考

  • Short: III/35C2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 2: Heterocycles Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C2 Year: 2003 Keyword: chemical shift; coupling constant; molecular structure ISBN: 3-540-41057-0 ISBN: 978-3-540-41057-7 Internet Resource: DOI:10.1007/b89252 RefComment: VIII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

RTECSJH6768000
Signal word
Hazard statements
  • H303+H313
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。
  • P302+P352+P332+P313+P362+P364
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P305+P351+P338
GHS Symbol 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 14,827,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 14,827,1976

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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. Chemicals by Class 化学分类法
  4. Dioxanes & Dioxolanes

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