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Substance Name: 1,8-Octanediol, 2,2,7,7-tetramethyl-
RN: 27143-31-3
InChIKey: SMYWXTFVRVVDGL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H26-O2

Molecular Weight

  • 202.335
 
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Names and Synonyms

Synonyms

  • 2,2,7,7-Tetramethyl-1,8-octanediol
  • BRN 1921609

Systematic Name

  • 1,8-Octanediol, 2,2,7,7-tetramethyl-

Registry Numbers

CAS Registry Number

  • 27143-31-3

System Generated Number

  • 0027143313

Structure Descriptors

InChI

1S/C12H26O2/c1-11(2,9-13)7-5-6-8-12(3,4)10-14/h13-14H,5-10H2,1-4H3

InChIKey

SMYWXTFVRVVDGL-UHFFFAOYSA-N

Smiles

C(C(CCCCC(CO)(C)C)(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   European Patent Application. Vol. #0064286,
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0064286,