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Substance Name: 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol
RN: 2060-58-4
InChIKey: YYPASFKEHCFNLV-MYPVRGOXSA-N

Note

  • Isolated from Asteraceae; patented for control of weeds, pests, and cercariae; phototoxic under aerobic and anaerobic conditions towards E coli.

Molecular Formula

  • C13-H11-Cl-O

Molecular Weight

  • 218.682
 
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Names and Synonyms

Name of Substance

  • 2-Chloro-3,11-tridecadiene-5,7,9-triyn-1-ol

Synonym

  • C3DECAYNOL

Systematic Name

  • 3,11-Tridecadiene-5,7,9-triyn-1-ol, 2-chloro-

Registry Numbers

CAS Registry Number

  • 2060-58-4

System Generated Number

  • 0002060584

Structure Descriptors

InChI

1S/C13H11ClO/c1-2-3-4-5-6-7-8-9-10-11-13(14)12-15/h2-3,10-11,13,15H,12H2,1H3/b3-2+,11-10+

InChIKey

YYPASFKEHCFNLV-MYPVRGOXSA-N

Smiles

C\C=C\C#CC#CC#C\C=C\[C@@H](Cl)CO

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.91 (none)   EXP
Water Solubility 51.8 mg/L 25 EST
Vapor Pressure 4.41E-07 mm Hg 25 EST
Henry's Law Constant 4.12E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.37E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.