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Substance Name: 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl-
RN: 17874-34-9
InChIKey: SIOLFBILQBRZOC-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C15-H18-O2

Molecular Weight

  • 230.3052
 
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Names and Synonyms

Synonyms

  • 4,6-Dimethyl-8-tert-butylcoumarin
  • 8-tert-Butyl-4,6-dimethylcoumarin
  • Coumarin, 4,6-dimethyl-8-(1,1-dimethylethy)-
  • EINECS 241-827-9

Systematic Names

  • 2H-1-Benzopyran-2-one, 8-(1,1-dimethylethyl)-4,6-dimethyl-
  • 8-tert-Butyl-4,6-dimethyl-2-benzopyrone
  • Coumarin, 8-tert-butyl-4,6-dimethyl-

Registry Numbers

CAS Registry Number

  • 17874-34-9

Other Registry Number

  • 77303-24-3

System Generated Number

  • 0017874349

Structure Descriptors

InChI

1S/C15H18O2/c1-9-6-11-10(2)8-13(16)17-14(11)12(7-9)15(3,4)5/h6-8H,1-5H3

InChIKey

SIOLFBILQBRZOC-UHFFFAOYSA-N

Smiles

CC1=CC(=O)Oc2c1cc(C)cc2C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 671, 1980.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 671, 1980.