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CAS Number: 4670-10-4
2-(3,5-dimethoxyphenyl)acetic acid

Structure

 2-(3,5-dimethoxyphenyl)acetic acid
Name: 2-(3,5-dimethoxyphenyl)acetic acid
Synonyms:
General Information
Product Number: 4670104
CAS Registry Number: 4670-10-4
Name:
        Benzeneacetic acid, 3,​5-​dimethoxy-
        Acetic acid, (3,​5-​dimethoxyphenyl)​- (6CI,​7CI,​8CI); (3,​5-​Dimethoxyphenyl)​acetic acid; 2-​(3,​5-​Dimethoxyphenyl)​acetic acid; 3,​5-​Dimethoxybenzeneacet​ic acid 
 
Chemical Formula: C10H12O4
Exact Mass: 196.07
Molecular Weight: 196.20
m/z: 196.07 (100.0%), 197.08 (11.1%), 198.08 (1.4%)
Elemental Analysis: C, 61.22; H, 6.16; O, 32.62
 
InChI: InChI=1S/C10H12O4/c1-13-8-3-7(5-10(11)12)4-9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)
InChIKey: FFPAFDDLAGTGPQ-UHFFFAOYSA-N
Canonical SMILES : COC1=CC(=CC(=C1)CC(=O)O)OC
 
Thermal Properties Value Condition Note
Melting Point 205-206 °C   (8)CAS
Melting Point 104-105 °C Solv: water (7732-18-5) (9)CAS
Melting Point 104-104.5 °C   (10)CAS
Melting Point 103.5-104.5 °C Solv: water (7732-18-5); ethanol (64-17-5) (11)CAS
Melting Point 101.5-102.5 °C   (12)CAS
Melting Point 101-103 °C   (13)CAS
Melting Point 101-102 °C Solv: water (7732-18-5) (14)CAS
Melting Point 100.5-101 °C   (15)CAS
Melting Point 99-100 °C   (16)CAS
Melting Point 99-100 °C   (5)CAS
Melting Point 98-102 °C   (3)CAS
Melting Point 95-97 °C Solv: water (7732-18-5) (6)CAS

Specification

98%
References
  1. (1) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  2. (2) Saeed, Aamer; Journal of Heterocyclic Chemistry 2003, V40(3), P519-522 CAPLUS
  3. (3) Liang, Qiren; Journal of Organic Chemistry 2007, V72(7), P2694-2697 CAPLUS
  4. (4) Weist, Stefan; Journal of the American Chemical Society 2004, V126(19), P5942-5943 CAPLUS
  5. (5) Fleming, Patricia; Journal of the American Chemical Society 2011, V133(6), P1698-1701 CAPLUS
  6. (6) Sun, Hong-Yi; Chemical & Pharmaceutical Bulletin 2010, V58(11), P1492-1496 CAPLUS
  7. (7) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  8. (8) Hardegger, E.; Helvetica Chimica Acta 1963, V46, P1171-80 CAPLUS
  9. (9) Takaoka, Mitio; J. Faculty Sci., Hokkaido Imp. Univ. 1940, V3(Ser. III), P1-16 CAPLUS
  10. (10) Musgrave, O. C.; Journal of the Chemical Society 1957, P1104-8 CAPLUS
  11. (11) Winstein, S.; Journal of the American Chemical Society 1956, V78, P4801-6 CAPLUS
  12. (12) Bruun, Torger; Acta Chemica Scandinavica 1965, V19(7), P1677-93 CAPLUS
  13. (13) Bhati, A.; Tetrahedron 1962, V18, P1519-26 CAPLUS
  14. (14) Kamal, A.; Tetrahedron Letters 1963, P611-12 CAPLUS
  15. (15) Winkler, D. E.; Journal of Organic Chemistry 1961, V26, P784-7 CAPLUS
  16. (16) Mauthner, F.; Journal fuer Praktische Chemie (Leipzig) 1925, V110, P125-8 CAPLUS
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