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Substance Name: tert-Heptanol (9CI)
RN: 28929-86-4
InChIKey: KRIMXCDMVRMCTC-UHFFFAOYSA-N

Molecular Formula

  • C7-H16-O

Molecular Weight

  • 116.202
 
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Names and Synonyms

  • tert-Heptanol (9CI)
  • tert-Heptyl alcohol

Registry Numbers

CAS Registry Number

  • 28929-86-4

System Generated Number

  • 0028929864

Structure Descriptors

InChI

1S/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3

InChIKey

KRIMXCDMVRMCTC-UHFFFAOYSA-N

Smiles

C(C(C)(C)O)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 158mg/kg (158mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 330, 1962.
rat LD50 oral 820mg/kg (820mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 72, 1982.