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Substance Name: Valeric acid, 2-propyl-, thymyl ester
RN: 30129-29-4
InChIKey: SJMCEMOUZGZCON-UHFFFAOYSA-N

Molecular Formula

  • C18-H28-O2

Molecular Weight

  • 276.417
 
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Names and Synonyms

Synonyms

  • 2-Propylvaleric acid thymyl ester
  • Pentanoic acid, 2-propyl-, thymyl ester
  • SAS 560
  • Thymyl 2-propylvalerate

Systematic Name

  • Valeric acid, 2-propyl-, thymyl ester

Registry Numbers

CAS Registry Number

  • 30129-29-4

System Generated Number

  • 0030129294

Structure Descriptors

InChI

1S/C18H28O2/c1-6-8-15(9-7-2)18(19)20-17-12-14(5)10-11-16(17)13(3)4/h10-13,15H,6-9H2,1-5H3

InChIKey

SJMCEMOUZGZCON-UHFFFAOYSA-N

Smiles

C(C(CCC)CCC)(=O)Oc1cc(C)ccc1C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 433, 1968.
mouse LD50 oral > 2500mg/kg (2500mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 433, 1968.
rat LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 433, 1968.
rat LD50 oral > 2gm/kg (2000mg/kg)   Chimica Therapeutica. Vol. 3, Pg. 433, 1968.