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Substance Name: Butyric acid, 3-hydroxy-, 2-heptyl ester
RN: 30956-43-5
InChIKey: SLFCZFVUICPREE-UHFFFAOYSA-N

Molecular Formula

  • C11-H22-O3

Molecular Weight

  • 202.292
 
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Names and Synonyms

Synonyms

  • 1-Methylhexyl beta-oxybutyrate
  • 3-Hydroxybutyric acid, 2-heptyl ester
  • BRN 1860140

Systematic Name

  • Butyric acid, 3-hydroxy-, 2-heptyl ester

Registry Numbers

CAS Registry Number

  • 30956-43-5

System Generated Number

  • 0030956435

Structure Descriptors

InChI

1S/C11H22O3/c1-4-5-6-7-10(3)14-11(13)8-9(2)12/h9-10,12H,4-8H2,1-3H3

InChIKey

SLFCZFVUICPREE-UHFFFAOYSA-N

Smiles

C(O[C@@H](CCCCC)C)(C[C@@H](C)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 120mg/kg (120mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 373, 1969.
rat LD50 intraperitoneal 640mg/kg (640mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 373, 1969.