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Substance Name: 1,3-Octanediol, monopropanoate
RN: 53554-42-0
InChIKey: QSXZMOSYJGTJHD-UHFFFAOYSA-N

Molecular Formula

  • C11-H22-O3

Molecular Weight

  • 202.2918
 
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Names and Synonyms

Synonym

  • 1,3-Octanediol monopropionate

Systematic Name

  • 1,3-Octanediol, monopropanoate

Registry Numbers

CAS Registry Number

  • 53554-42-0

System Generated Number

  • 0053554420

Structure Descriptors

InChI

1S/C11H22O3/c1-3-5-6-7-10(12)8-9-14-11(13)4-2/h10,12H,3-9H2,1-2H3

InChIKey

QSXZMOSYJGTJHD-UHFFFAOYSA-N

Smiles

CCCCCC(CCOC(=O)CC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 20gm/kg (20000mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 418, 1975.