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CAS Number: 55289-06-0
3-methoxy-2-methylbenzoic acid

Structure

3-methoxy-2-methylbenzoic acid
Name: 3-methoxy-2-methylbenzoic acid
Synonyms:
General Information
Product Number: 55289060

CAS Registry Number 55289-06-0
Name:
Benzoic acid, 3-​methoxy-​2-​methyl-
m-Anisic acid, 2-methyl- (6CI,7CI)
2-Methyl-3-methoxybenzoic acid
3-Methoxy-2-methylbenzoic acid

 

Chemical Formula: C9H10O3
Exact Mass: 166.06
Molecular Weight: 166.17
m/z: 166.06 (100.0%), 167.07 (10.0%), 168.07 (1.1%)

 

InChI:InChI=1S/C9H10O3/c1-6-7(9(10)11)4-3-5-8(6)12-2/h3-5H,1-2H3,(H,10,11)

InChI Key:JPCISVSOTKMFPG-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=CC=C1OC)C(=O)O

 

Thermal Properties Value Condition Note
Boiling Point 138 °C Press: 16 Torr (1)CAS
Melting Point 153-155 °C   (4)CAS
Melting Point 145-146 °C   (2)ACD
Melting Point 145-146 °C   (3)CAS
Melting Point 145-146 °C Solv: water (7732-18-5); ethanol (64-17-5) (5)CAS
Melting Point 137-138 °C   (6)CAS

Specification

98%

References
  1. (1) Peltier, Daniel; Compt. rend. 1954, V238, P2430-1 CAPLUS
  2. (2) Nguyen, Thi-Huu; Journal of Organic Chemistry 2007, V72(9), P3419-3429 CAPLUS
  3. (3) Nguyen, Thi-Huu; Organic Letters 2005, V7(12), P2445-2448 CAPLUS
  4. (4) Carpenter, M. S.; Journal of Organic Chemistry 1955, V20, P401-11 CAPLUS
  5. (5) Beard, Wm. Q., Jr.; Journal of Organic Chemistry 1960, V25, P334-43 CAPLUS
  6. (6) Maniwa, Hideo; Yakugaku Zasshi 1924, VNo. 507, P348-98 CAPLUS
  7. (7) Gibson, G. P.; Journal of the Chemical Society, Transactions 1923, V123, P1269-77 CAPLUS
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