Cas no 11114-02-6 (Methothyrin (9CI))

Methothyrin (9CI) structure
Methothyrin (9CI) structure
Product Name:Methothyrin (9CI)
CAS No:11114-02-6
MF:C19H26O3
MW:302.407946109772
CID:168378
PubChem ID:36819
Update Time:2025-04-19

Methothyrin (9CI) Chemical and Physical Properties

Names and Identifiers

    • Methothyrin (9CI)
    • [4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
    • DTXSID40912012
    • Methothrin
    • Methothryn
    • 4-(Methyloxymethyl)benzyl chrysanthemum monocarboxylate
    • 34388-29-9
    • 2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylicacid[4-(methoxymethyl)phenyl]methylester
    • Chrysanthemummonocarboxylic acid 4-(methoxymethyl)benzyl ester
    • SCHEMBL6669213
    • FT-0630583
    • 4-(methoxymethyl)benzyl (1RS)-cis,trans-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
    • 4-(Methoxymethyl)benzyl chrysanthemummonocarboxylate
    • 4-(Methyloxymethyl)benzyl chrysanthem-monocarboxylate
    • 2,2-Dimethyl-3-(2-methylpropyl)cyclopropanecarboxylic acid p-(methoxymethyl)benzyl ester
    • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, p-(methoxymethyl)benzyl ester
    • [4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
    • 11114-02-6
    • 4-(Methoxymethyl)benzyl chrysanthemum monocarboxylate
    • MB pyrethroid
    • NS00121702
    • 4-(methoxymethyl)benzyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
    • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-,[4-(methoxymethyl)phenyl]methyl ester
    • Inchi: 1S/C19H26O3/c1-13(2)10-16-17(19(16,3)4)18(20)22-12-15-8-6-14(7-9-15)11-21-5/h6-10,16-17H,11-12H2,1-5H3
    • InChI Key: GQNBIMLHUAWKHJ-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC(COC)=CC=1)C(C1C(/C=C(\C)/C)C1(C)C)=O

Computed Properties

  • Exact Mass: 272.08309
  • Monoisotopic Mass: 302.188
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 7
  • Complexity: 412
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.1
  • Topological Polar Surface Area: 35.5A^2

Experimental Properties

  • Density: 1.075
  • Boiling Point: 369.639 °C at 760 mmHg
  • Flash Point: 154.79 °C
  • Refractive Index: 1.501
  • PSA: 52.54
  • LogP: 4.11460
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