CAS 14098-24-9 Benzo-18-crown 6-Ether - Materials / Alfa Chemistry

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Benzo-18-crown 6-Ether

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Catalog Number

ACM14098249-2

CAS Number

14098-24-9

Product Name

Benzo-18-crown 6-Ether

Structure

Category

Macrocycles; Supramolecular Host Materials

Synonyms

2,3-Benzo-1,4,7,10,13,16-hexaoxaoctadec-2-ene

IUPAC Name

2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene

Molecular Weight

312.36

Molecular Formula

C16H24O6

Canonical SMILES

C1COCCOCCOC2=CC=CC=C2OCCOCCO1

InChI

DSFHXKRFDFROER-UHFFFAOYSA-N

InChI Key

InChI=1S/C16H24O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h1-4H,5-14H2

Boiling Point

451.8 °C at 760 mmHg

Melting Point

42-45 °C(lit.)

Flash Point

113 °C

Purity

96%

Appearance

White powder

Complexity

237

Covalently-Bonded Unit Count

Exact Mass

312.157288g/mol

Formal Charge

Heavy Atom Count

Isomeric SMILES

C1COCCOCCOC2=CC=CC=C2OCCOCCO1

Monoisotopic Mass

312.157288g/mol

Rotatable Bond Count

XLogP3

0.6

MSDS

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COA

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Spec Sheet

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