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CAS Number: 4593-38-8
5-methyl-2,3-dihydro-1H-inden-1-one

Structure

 5-methyl-2,3-dihydro-1H-inden-1-one
Name: 5-methyl-2,3-dihydro-1H-inden-1-one
Synonyms:
General Information
Product Number: 4593388

CAS Registry Number 4593-38-8
Name:
1H-?Inden-?1-?one, 2,?3-?dihydro-?5-?methyl-
1-Indanone, 5-methyl- (6CI,7CI,8CI)
5-Methyl-1-indanone

 

Chemical Formula: C10H10O
Exact Mass: 146.07
Molecular Weight: 146.19
m/z: 146.07 (100.0%), 147.08 (11.0%)

 

InChI:InChI=1S/C10H10O/c1-7-2-4-9-8(6-7)3-5-10(9)11/h2,4,6H,3,5H2,1H3

InChI Key:KBHCTNGQJOEDDC-UHFFFAOYSA-N

Canonical SMILES:CC1=CC2=C(C=C1)C(=O)CC2

 

Thermal Properties Value Condition Note
Melting Point 71-73 °C   (5)IC
Melting Point 67-69 °C Solv: ligroine (8032-32-4) (6)CAS
Melting Point 67-68 °C Solv: ligroine (8032-32-4) (4)CAS
Melting Point 65 °C   (7)CAS

Specification

98%
References
  1. (4) Fillion, Eric; Journal of Organic Chemistry 2005, V70(4), P1316-1327 CAPLUS
  2. (5) Budhram, Ronald S.; Journal of Organic Chemistry 1986, V51(9), P1402-6 CAPLUS
  3. (6) Fillion, Eric; Organic Letters 2003, V5(24), P4653-4656 CAPLUS
  4. (7) Hannig, E.; Pharmazie 1965, V20(12), P762-3 CAPLUS
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