CAS Registry Number: 38404-42-1

Name:

Benzoic acid, 3,​4-​dimethyl-​, methyl ester
Methyl 3,​4-​dimethylbenzoate 

Chemical Formula: C10H12O2
Exact Mass: 164.08
Molecular Weight: 164.20
m/z: 164.08 (100.0%), 165.09 (11.0%)
Elemental Analysis: C, 73.15; H, 7.37; O, 19.49

InChI: InChI=1S/C10H12O2/c1-7-4-5-9(6-8(7)2)10(11)12-3/h4-6H,1-3H3
InChIKey: PTSSKYUSCIALKU-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C=C(C=C1)C(=O)OC)C

Specification

98%

1. (1) Pelisson, Marcelo M. M.; Journal of Porphyrins and Phthalocyanines 2003, V7(9 & 10), P630-636 CAPLUS
2. (2) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
3. (3) Budesinsky, Milos; Magnetic Resonance in Chemistry 2004, V42(10), P844-851 CAPLUS
4. (4) Nakamura, Ryota; Advanced Synthesis & Catalysis 2009, V351(10), P1677-1684 CAPLUS
5. (5) Fiedler, Pavel; Collection of Czechoslovak Chemical Communications 2004, V69(4), P797-810 CAPLUS
6. (6) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
7. (7) Neudeck, H. K.; Monatshefte fuer Chemie 1996, V127(2), P185-200 CAPLUS