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Substance Name: 1-Penten-3-one, 4,4-dimethyl-1-(4-(2-propenyloxy)phenyl)-
RN: 58344-34-6
InChIKey: NSMLWCGAXJMLLI-DHZHZOJOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H20-O2

Molecular Weight

  • 244.332
 
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Names and Synonyms

Synonyms

  • 4,4-Dimethyl-1-(4-(2-propenyloxy)phenyl)-1-penten-3-one
  • BRN 2265549

Systematic Name

  • 1-Penten-3-one, 4,4-dimethyl-1-(4-(2-propenyloxy)phenyl)-

Registry Numbers

CAS Registry Number

  • 58344-34-6

System Generated Number

  • 0058344346

Structure Descriptors

InChI

1S/C16H20O2/c1-5-12-18-14-9-6-13(7-10-14)8-11-15(17)16(2,3)4/h5-11H,1,12H2,2-4H3/b11-8+

InChIKey

NSMLWCGAXJMLLI-DHZHZOJOSA-N

Smiles

CC(C)(C)C(=O)/C=C/c1ccc(cc1)OCC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 41, 1978.