Celestolide

CAS Registry Number®

13171-00-1
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CAS Name

Celestolide

Molecular Formula

C17H24O

Molecular Mass

244.37

Cite this Page

Celestolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13171-00-1 (retrieved 2024-06-25) (CAS RN: 13171-00-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    77.2-77.9 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H24O/c1-11(18)14-9-12(16(2,3)4)10-15-13(14)7-8-17(15,5)6/h9-10H,7-8H2,1-6H3

InChIKey

InChIKey=IKTHMQYJOWTSJO-UHFFFAOYSA-N

SMILES

C(C)(=O)C1=C2C(C(C)(C)CC2)=CC(C(C)(C)C)=C1

Canonical SMILES

O=C(C=1C=C(C=C2C1CCC2(C)C)C(C)(C)C)C

Other Names for this Substance

  • Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-
  • Ketone, 6-tert-butyl-1,1-dimethyl-4-indanyl methyl
  • 1-[6-(1,1-Dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]ethanone
  • 4-Acetyl-1,1-dimethyl-6-tert-butylindan
  • 4-Acetyl-6-tert-butyl-1,1-dimethylindan

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Deleted or Replaced CAS Registry Numbers

88401-65-4

CAS INSIGHTSTM
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