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CAS Number: 36669-06-4
dimethyl 2-hydroxyisophthalate

Structure

dimethyl 2-hydroxyisophthalate
Name: dimethyl 2-hydroxyisophthalate
Synonyms:
General Information
Product Number: 36669064

CAS Registry Number 36669-06-4
Name:
1,​3-​Benzenedicarboxylic acid, 2-​hydroxy-​, 1,​3-​dimethyl ester
1,3-Benzenedicarboxylic acid, 2-hydroxy-, dimethyl ester (9CI)
Isophthalic acid, 2-hydroxy-, dimethyl ester (6CI)
2,6-(Dicarbomethoxy)phenol
2-Hydroxyisophthalic acid dimethyl ester
Dimethyl 2-hydroxy-1,3-benzenedicarboxylate

 

Chemical Formula: C10H10O5
Exact Mass: 210.05
Molecular Weight: 210.18
m/z: 210.05 (100.0%), 211.06 (11.1%), 212.06 (1.6%)

 

InChI:InChI=1S/C10H10O5/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5,11H,1-2H3

InChI Key:HJZOAEXBCOTMIU-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=C(C(=CC=C1)C(=O)OC)O

 

Thermal Properties Value Condition Note
Melting Point 72 °C   (3)CAS
Melting Point 71-72 °C   (4)CAS
Melting Point 71 °C   (5)CAS
Melting Point 70-71 °C   (6)IC
Melting Point 68-70 °C Solv: methanol (67-56-1) (7)IC

Specification

98%

References
  1. (3) Wohl, A.; Berichte der Deutschen Chemischen Gesellschaft 1911, V43, P3474-89 CAPLUS
  2. (4) Freeman, James H.; Journal of the American Chemical Society 1952, V74, P6257-60 CAPLUS
  3. (5) Benica, Wm. S.; Journal of the American Pharmaceutical Association (1912-1977) 1945, V34, P42-4 CAPLUS
  4. (6) Barton, Derek H. R.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1982, (3), P665-9 CAPLUS
  5. (7) Bertz, Steven H.; Journal of Organic Chemistry 1985, V50(19), P3585-92 CAPLUS
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