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CAS Number: 56196-53-3
ethyl 4-methyloctanoate

Structure

ethyl 4-methyloctanoate
Name: ethyl 4-methyloctanoate
Synonyms:
General Information
Product Number: 56196533

CAS Registry Number 56196-53-3
Name:
Octanoic acid, 4-​methyl-​, ethyl ester
Ethyl 4-Methyloctanoate
Oryctalure

 

Chemical Formula: C11H22O2
Exact Mass: 186.16
Molecular Weight: 186.29
m/z: 186.16 (100.0%), 187.17 (12.2%), 188.17 (1.1%)

 

InChI:InChI=1S/C11H22O2/c1-4-6-7-10(3)8-9-11(12)13-5-2/h10H,4-9H2,1-3H3

InChI Key:GXARNRCIGKRBAP-UHFFFAOYSA-N

Canonical SMILES:CCCCC(C)CCC(=O)OCC

 

Thermal Properties Value Condition Note
Boiling Point 140 °C Press: 17 Torr (1)CAS
Boiling Point 94.5 °C Press: 13 Torr (2)CAS

Specification

98%

References
  1. (1) Linstead, R. P.; Journal of the Chemical Society 1953, P1538-41 CAPLUS
  2. (2) Odham, Gordan; Arkiv foer Kemi 1964, V22(31), P417-45 CAPLUS
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