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CAS Number: 58621-52-6
1-(chroman-6-yl)ethanone

Structure

1-(chroman-6-yl)ethanone
Name: 1-(chroman-6-yl)ethanone
Synonyms:
General Information
Product Number: 58621526

CAS Registry Number 58621-52-6
Name:
Ethanone, 1-​(3,​4-​dihydro-​2H-​1-​benzopyran-​6-​yl)​-
Ketone, 6-chromanyl methyl (6CI,7CI)
1-(3,4-Dihydro-2H-1-benzopyran-6-yl)ethan-1-one
1-(3,4-Dihydro-2H-chromen-6-yl)ethanone
1-(Chroman-6-yl)ethanone

 

Chemical Formula: C11H12O2
Exact Mass: 176.08
Molecular Weight: 176.21
m/z: 176.08 (100.0%), 177.09 (12.1%), 178.09 (1.1%)

 

InChI:InChI=1S/C11H12O2/c1-8(12)9-4-5-11-10(7-9)3-2-6-13-11/h4-5,7H,2-3,6H2,1H3

InChI Key:BAXUMNKQKVFPNU-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C1=CC2=C(C=C1)OCCC2

 

Thermal Properties Value Condition Note
Boiling Point 180 °C Press: 18 Torr (1)CAS
Melting Point 45 °C Solv: ligroine (8032-32-4) (1)CAS
Melting Point 43 °C Solv: ligroine (8032-32-4) (3)CAS

Specification

98%

References
  1. (1) Chatelus, Georges; Ann. chim. [12] 1949, V4, P505-47 CAPLUS
  2. (3) Hach, V.; Collection of Czechoslovak Chemical Communications 1959, V24, P3136-40 CAPLUS
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