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CAS Number: 6702-50-7
methyl 3-hydroxy-4-methoxybenzoate

Structure

methyl 3-hydroxy-4-methoxybenzoate
Name: methyl 3-hydroxy-4-methoxybenzoate
Synonyms:
General Information
Product Number: 6702507
CAS Registry Number: 6702-50-7
Name:
Benzoic acid, 3-​hydroxy-​4-​methoxy-​, methyl ester
Isovanillic acid methyl ester (6CI); p-​Anisic acid, 3-​hydroxy-​, methyl ester (7CI,​8CI); 3-​Hydroxy-​4-​methoxybenzoic acid methyl ester; 5-​(Carbomethoxy)​-​2-​methoxyphenol; Methyl 3-​hydroxy-​4-​methoxybenzoate; Methyl isovanillate 
 
Chemical Formula: C9H10O4
Exact Mass: 182.06
Molecular Weight: 182.17
m/z: 182.06 (100.0%), 183.06 (10.0%), 184.06 (1.2%)
Elemental Analysis: C, 59.34; H, 5.53; O, 35.13
 
InChI: InChI=1S/C9H10O4/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5,10H,1-2H3
InChIKey: QXOXUEFXRSIYSW-UHFFFAOYSA-N
Canonical SMILES : COC1=C(C=C(C=C1)C(=O)OC)O
 
Thermal Properties Value Condition Note
Boiling Point 102 °C Press: 0.1 Torr (1)CAS
Melting Point 66-67 °C   (5)CAS
Melting Point 64-65 °C   (6)CAS
Melting Point 63-65 °C   (7)IC

Specification

98%

References
  1. (1) Grundon, M. F.; Journal of the Chemical Society 1954, P3531-7 CAPLUS
  2. (2) Payne, Richard J.; Organic & Biomolecular Chemistry 2005, V3(12), P2271-2281 CAPLUS
  3. (3) Wang, Xiaolong; Synlett 2010, (19), P2947-2949 CAPLUS
  4. (4) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  5. (5) Noyce, Donald S.; Journal of Organic Chemistry 1961, V26, P3619-26 CAPLUS
  6. (6) Wessely, I. F.; Monatshefte fuer Chemie 1966, V97(2), P570-8 CAPLUS
  7. (7) Huber, Edward W.; Journal of Heterocyclic Chemistry 1990, V27(7), P1957-61 CAPLUS
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