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CAS Number: 76937-26-3
2-butyl-2,3-dihydro-1H-inden-1-one

Structure

2-butyl-2,3-dihydro-1H-inden-1-one
Name: 2-butyl-2,3-dihydro-1H-inden-1-one
Synonyms:
General Information
Product Number: 76937263

CAS Registry Number 76937-26-3
Name:
1H-​Inden-​1-​one, 2-​butyl-​2,​3-​dihydro-
1-Indanone, 2-butyl- (6CI)
2-Butyl-1-indanone

 

Chemical Formula: C13H16O
Exact Mass: 188.12
Molecular Weight: 188.27
m/z: 188.12 (100.0%), 189.12 (14.1%)

 

InChI:InChI=1S/C13H16O/c1-2-3-6-11-9-10-7-4-5-8-12(10)13(11)14/h4-5,7-8,11H,2-3,6,9H2,1H3

InChI Key:AWYXNIWXOXKRDQ-UHFFFAOYSA-N

Canonical SMILES:CCCCC1CC2=CC=CC=C2C1=O

 

Thermal Properties Value Condition Note
Boiling Point 163-164 °C Press: 20 Torr (1)CAS
Boiling Point 154 °C Press: 14 Torr (2)CAS
Melting Point 0 °C   (1)CAS

Specification

98%

References
  1. (1) Colonge, Jean; Bulletin de la Societe Chimique de France 1959, P370-3,450-2 CAPLUS
  2. (2) Hussain, Zakir; European Journal of Organic Chemistry 2006, (24), P5555-5569 CAPLUS
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