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CAS Number: 181425-91-2
diethyl 5-(hydroxymethyl)isophthalate

Structure

diethyl 5-(hydroxymethyl)isophthalate
Name: diethyl 5-(hydroxymethyl)isophthalate
Synonyms:
General Information
Product Number: 181425912

CAS Registry Number 181425-91-2
Name:
1,​3-​Benzenedicarboxylic acid, 5-​(hydroxymethyl)​-​, 1,​3-​diethyl ester
1,3-Benzenedicarboxylic acid, 5-(hydroxymethyl)-, diethyl ester (9CI)
5-(Hydroxymethyl)isophthalic acid diethyl ester
Diethyl 5-(hydroxymethyl)benzene-1,3-dicarboxylate
Diethyl 5-(hydroxymethyl)isophthalate

 

Chemical Formula: C13H16O5
Exact Mass: 252.10
Molecular Weight: 252.26
m/z: 252.10 (100.0%), 253.10 (14.3%), 254.10 (1.0%)

 

InChI:InChI=1S/C13H16O5/c1-3-17-12(15)10-5-9(8-14)6-11(7-10)13(16)18-4-2/h5-7,14H,3-4,8H2,1-2H3

InChI Key:AMRPMZYDTZVKTP-UHFFFAOYSA-N

Canonical SMILES:CCOC(=O)C1=CC(=CC(=C1)CO)C(=O)OCC

 

Thermal Properties Value Condition Note
Melting Point 82-83 °C Solv: ethanol (64-17-5) (2)CAS
Melting Point 79 °C Solv: ethanol (64-17-5) (1)CAS

Specification

98%

References
  1. (1) Bhosale, Sheshanath V.; European Journal of Organic Chemistry 2009, (24), P4128-4134, S4128/1-S4128/4 CAPLUS
  2. (2) Kathiresan, Murugavel; Tetrahedron Letters 2010, V51(16), P2188-2192 CAPLUS
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