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Substance Name: 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl-
RN: 56998-66-4
InChIKey: OHBXLCZEPNYEIS-UHFFFAOYSA-N

Molecular Formula

  • C8-H13-Br-O

Molecular Weight

  • 205.0937
 
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Names and Synonyms

Synonyms

  • 1-Bromo-3,4,4-trimethyl-1-pentyn-3-ol
  • 3-01-00-01999 (Beilstein Handbook Reference)
  • BRN 1750521
  • Methyl-tert-butyl-bromaethenyl-carbinol
  • Methyl-tert-butyl-bromaethenyl-carbinol [German]

Systematic Name

  • 1-Pentyn-3-ol, 1-bromo-3,4,4-trimethyl-

Registry Numbers

CAS Registry Number

  • 56998-66-4

System Generated Number

  • 0056998664

Structure Descriptors

InChI

1S/C8H13BrO/c1-7(2,3)8(4,10)5-6-9/h10H,1-4H3

InChIKey

OHBXLCZEPNYEIS-UHFFFAOYSA-N

Smiles

CC(C)(C)C(C)(C#CBr)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo oral 100mg/kg (100mg/kg)   "Zur Pharmakologie Ungesattigter Alkohole, Dissertation," Bock, H., Pharmakologischen Institu der Universitat Breslau, Poland, 1930Vol. -, Pg. -, 1930.
rabbit LDLo oral 28mg/kg (28mg/kg)   "Zur Pharmakologie Ungesattigter Alkohole, Dissertation," Bock, H., Pharmakologischen Institu der Universitat Breslau, Poland, 1930Vol. -, Pg. -, 1930.