Benzeneethanol, alpha-methyl-, 1-acetate 乙酸1-甲基-2-苯基乙酯

CAS 2114-33-2 MFCD01672540

化学结构图

2114-33-2
SMILES: CC(=O)OC(C)Cc1ccccc1

化学属性

Mol. FormulaC11H14O2
Mol. Weight178.23

别名和识别编码

Chemical Name1-Methyl-2-phenylethyl Acetate
Synonym α-methylphenethyl acetate 2-Acetoxy-1-phenylpropane R,S-Acetic acid 1-methyl-2-phenyl-ethyl ester Methylbenzylcarbinyl acetate alpha-Methyl-beta-phenylethyl acetate 1-methyl-2-phenylethyl acetate Benzeneethanol, α-methyl-, acetate 1-Phenyl-2-propanol acetate Benzylmethylcarbinyl acetate (R,S)-Acetic acid 1-methyl-2-phenyl-ethyl ester
MDL NumberMFCD01672540
CAS Number2114-33-2
Reaxys-RN2047624
PubChem Substance ID16457
Chemical Name Translation乙酸1-甲基-2-苯基乙酯
InChIKeyLOHDWLZDQXQLJA-UHFFFAOYSA-N
LabNetwork Molecule IDLN01743211
InChIInChI=1S/C11H14O2/c1-9(13-10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; racemate; 1fragment

相关文献及参考

  • 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.
  • 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

RTECSAI9316000
Signal word
Hazard statements
  • H316 Causes mild skin irritation 会轻微的刺激皮肤
Precautionary statements
  • P332+P313 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,737,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,737,1982

系列性分类

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