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CAS Number: 83011-43-2
methyl 3-hydroxy-4,5-dimethoxybenzoate

Structure

methyl 3-hydroxy-4,5-dimethoxybenzoate
Name: methyl 3-hydroxy-4,5-dimethoxybenzoate
Synonyms:
General Information
Product Number: 83011432

CAS Registry Number: 83011-43-2

Name:

Benzoic acid, 3-​hydroxy-​4,​5-​dimethoxy-​, methyl ester
3-​Hydroxy-​4,​5-​dimethoxybenzoic acid methyl ester; Methyl 3,​4-​dimethoxy-​5-​hydroxybenzoate; Methyl 3-​hydroxy-​4,​5-​dimethoxybenzoate 

 

Chemical Formula: C10H12O5
Exact Mass: 212.07
Molecular Weight: 212.20
m/z: 212.07 (100.0%), 213.07 (11.1%), 214.07 (1.0%)
Elemental Analysis: C, 56.60; H, 5.70; O, 37.70

 

InChI: InChI=1S/C10H12O5/c1-13-8-5-6(10(12)15-3)4-7(11)9(8)14-2/h4-5,11H,1-3H3
InChIKey: LCIFXEQPXQVBGL-UHFFFAOYSA-N
Canonical SMILES : COC1=CC(=CC(=C1OC)O)C(=O)OC

 

Thermal Properties Value Condition Note
Boiling Point 167-170 °C Press: 4 Torr (1)CAS
Melting Point 80-82 °C   (6)IC
Melting Point 73.5-74.5 °C   (7)CAS
Melting Point 72-79 °C   (1)CAS
Melting Point 72-74 °C Solv: ethyl acetate (141-78-6) (4)CAS
Melting Point See full text   (2)CAS

Specification

98%

References
  1. (1) Inubushi, Yasuo; Yakugaku Zasshi 1958, V78, P486-90 CAPLUS
  2. (2) Alam, Ashraful; Tetrahedron 2005, V61(7), P1909-1918 CAPLUS
  3. (3) An, Ren-Bo; Natural Product Sciences 2005, V11(3), P119-122 CAPLUS
  4. (4) Takeda, Shigemitsu; Tetrahedron 2006, V63(2), P396-408 CAPLUS
  5. (5) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  6. (6) Mezey-Vandor, Gabriella; Liebigs Annalen der Chemie 1989, (4), P401-3 CAPLUS
  7. (7) Wipf, Peter; Journal of Organic Chemistry 1999, V64(14), P5321-5324 CAPLUS
  8. (8) Kwak, Jae-Hwan; Archives of Pharmacal Research 2011, V34(7), P1107-1112 CAPLUS
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