6-Methylheptyl (4-Chloro-2-Methylphenoxy)Acetate

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Properties Simple | Detailed

Formula C17H25ClO3
IUPAC Name 6-methylheptyl 2-(4-chloro-2-methyl-phenoxy)acetate
Molecular Mass 312.832 g·mol−1
Heat of Formation -637.2 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 396.12 Å 3
Surface Area 374.32 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • ((4-chloro-o-tolyl)oxy)acetic acid isooctyl ester
  • (4-chloro-2-methylphenoxy)acetic acid isooctyl ester
  • 2-(4-chloro-2-methyl-phenoxy)acetic acid 6-methylheptyl ester
  • 2-(4-chloro-2-methylphenoxy)acetic acid 6-methylheptyl ester
  • 2-methyl-4-chlorophenoxyacetic acid, isooctyl ester
  • 6-methylheptyl 2-(4-chloro-2-methyl-phenoxy)ethanoate
  • 6-methylheptyl 2-(4-chloro-2-methylphenoxy)acetate
  • acetic acid, ((4-chloro-o-tolyl)oxy)-, isooctyl ester
  • acetic acid, (4-chloro-2-methylphenoxy)-, isooctyl ester
  • acetic acid, (4-chloro-2-methylphenoxy)-, isooctyl ester (9ci)
  • caswell no. 557i
  • epa pesticide chemical code 030563
  • isooctyl (2-methyl-4-chlorophenoxy)acetate
  • isooctyl (4-chloro-2-methylphenoxy)acetate
  • isooctyl 2-methyl-4-chlorophenoxyacetate
  • mcpa isooctyl ester
  • mcpa-isooctyl
CAS Number(s)
  • 26544-20-7
InChIKey PDIYKJRLQHHRAG-UHFFFAOYSA-N
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Elements H C O Cl