2-Isopropyl-4-methylphenol 4-甲基-2-(1-甲乙基)苯酚

CAS 4427-56-9 MFCD00151522

化学结构图

4427-56-9
SMILES: Cc1ccc(O)c(C(C)C)c1

化学属性

Mol. FormulaC10H14O
Mol. Weight150.22
Melting Point35-37°C
Boiling Point228.5°C at 760 mmHg

别名和识别编码

Chemical Name4-Methyl-2-Isopropylphenol
Synonym 2-Isopropyl-4-methylphenol {LY} 2-Isopropyl-4-methylphenol {} {LY} 2-Isopropyl-4-methylphenol {} {} {LY} 2-Isopropyl-4-methylphenol {} {} {} {LY} 2-Isopropyl-4-methylphenol {} {} {} {} {LY} 2-Isopropyl-4-methylphenol {} {} {} {} {} {LY} 2-Isopropyl-4-methylphenol {} {} {} {} {} {} {LY} 2-Isopropyl-4-methylphenol {} {} {} {} {} {} {} {LY} 2-Isopropyl-4-methylphenol {} {} {} {} {} {} {} {} {LY} 2-Isopropyl-4-methylphenol {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 2-Isopropyl-4-methylphenol {} {} {} {} {} {} {} {} {} {} {LY} 2-Isopropyl-4-methylphenol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Isopropyl-4-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Isopropyl-4-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Isopropyl-4-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Isopropyl-4-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {
Wiswesser Line NotationQR D1 BY1&1
CAS Number4427-56-9
Beilstein Registry Number1860557
LabNetwork Molecule IDLN00338589
Chemical Name Translation4-甲基-2-(1-甲乙基)苯酚
PubChem Substance ID78153
InChIInChI=1S/C10H14O/c1-7(2)9-6-8(3)4-5-10(9)11/h4-7,11H,1-3H3
MDL NumberMFCD00151522
Canonical SMILESOC1=CC=C(C)C=C1C(C)C
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分类

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

相关文献及参考

  • Short: III/35C3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 3: Natural Compounds Author: Gupta, R.R.; Dobhal, M.P. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C3 Year: 2003 Keyword: chemical shift; coupling constant; molecular structure ISBN: 3-540-41058-9 ISBN: 978-3-540-41058-4 Internet Resource: DOI:10.1007/b76569 RefComment: VIII, 322 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: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/8I Title: Densities of Phenols, Aldehydes, Ketones, Carboxylic Acids, Amines, Nitriles, and Nitrohydrocarbons Author: Frenkel, M.; Hong,

安全信息

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3840 mg/kg/12W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   19,413,1959

RTECSSL7175000 
TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 250 ug/disc
REFERENCE :
   JPFCD2 Journal of Environmental Science and Health, Part B: Pesticides, Food
   Contaminants, and Agricultural Wastes.  (Marcel Dekker, 270 Madison Ave.,
   New York, NY 10016)  V.B11-    1976-  Volume(issue)/page/year: 21,319,1986

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 600 ug/disc
REFERENCE :
   JPFCD2 Journal of Environmental Science and Health, Part B: Pesticides, Food
   Contaminants, and Agricultural Wastes.  (Marcel Dekker, 270 Madison Ave.,
   New York, NY 10016)  V.B11-    1976-  Volume(issue)/page/year: 21,319,1986

Hazard statements
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

系列性分类

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