Isopropyl Phenylacetate 苯乙酸异丙酯

CAS 4861-85-2 MFCD00051546

化学结构图

4861-85-2
SMILES: CC(C)OC(=O)Cc1ccccc1

化学属性

Mol. FormulaC11H14O2
Mol. Weight178.23
Density1.001 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.488(lit.)
Boiling Point157-165 °C/12 mmHg(lit.)
Flash Point107°(225°F)
TSCAYes

别名和识别编码

Chemical NameIsopropyl Phenylacetate
Synonym Benzeneacetic acid, 1-methylethyl ester Isopropyl 2-phenylacetate {uni_hamburg} Phenyl-acetic acid isopropyl ester Phenylacetic acid isopropyl ester isopropyl phenylacetate {} {uni_hamburg} Isopropylphenylacetat {} {} {uni_hamburg} Isopropyl-α-toluat 苯乙酸异丙酯
MDL NumberMFCD00051546
CAS Number4861-85-2
PubChem Substance ID62553
EC Number225-468-5
Beilstein Registry Number1866839
Chemical Name Translation苯乙酸异丙酯
LabNetwork Molecule IDLN02145201
InChIInChI=1S/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
Canonical SMILESCC(C)OC(=O)CC1=CC=CC=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Alphabetical Listings, Flavors and Fragrances, I-L

相关文献及参考

  • 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
  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 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.

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. I-L - Alphabetical Listings

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