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Substance Name: Orthovaleric acid, cyclic ester with 2-butyl-2-(hydroxymethyl)-1,3-propanediol
RN: 70636-96-3
InChIKey: RGVKKPSIJLTRCD-UHFFFAOYSA-N

Molecular Formula

  • C13-H24-O3

Molecular Weight

  • 228.3296
 
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Names and Synonyms

Synonym

  • 2,6,7-Trioxabicyclo(2.2.2)octane, 1,4-dibutyl-

Systematic Name

  • Orthovaleric acid, cyclic ester with 2-butyl-2-(hydroxymethyl)-1,3-propanediol

Registry Numbers

CAS Registry Number

  • 70636-96-3

System Generated Number

  • 0070636963

Structure Descriptors

InChI

1S/C13H24O3/c1-3-5-7-12-9-14-13(15-10-12,16-11-12)8-6-4-2/h3-11H2,1-2H3

InChIKey

RGVKKPSIJLTRCD-UHFFFAOYSA-N

Smiles

CCCCC12COC(OC1)(OC2)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 22mg/kg (22mg/kg)   Toxicology and Applied Pharmacology. Vol. 47, Pg. 287, 1979.