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CAS Number: 14473-89-3
(E)-3-(m-tolyl)acrylic acid

Structure

(E)-3-(m-tolyl)acrylic acid
Name: (E)-3-(m-tolyl)acrylic acid
Synonyms:
General Information
Product Number: 14473893

CAS Registry Number: 14473-89-3

Name:

2-​Propenoic acid, 3-​(3-​methylphenyl)​-​, (2E)​-
2-​Propenoic acid, 3-​(3-​methylphenyl)​-​, (E)​-; Cinnamic acid, m-​methyl-​, (E)​- (8CI); (E)​-​3-​(3-​Tolyl)​acrylic acid; (E)​-​3-​(m-​Tolyl)​-​2-​propenoic acid; (E)​-​3-​Methylcinnamic acid; 3-​Methyl-​trans-​cinnamic acid; trans-​3-​(3-​Methylphenyl)​-​2-​propenoic acid; trans-​m-​Methylcinnamic acid 

 

Chemical Formula: C10H10O2
Exact Mass: 162.07
Molecular Weight: 162.19
m/z: 162.07 (100.0%), 163.07 (11.0%)
Elemental Analysis: C, 74.06; H, 6.21; O, 19.73

 

InChI: InChI=1S/C10H10O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+
InChIKey: JZINNAKNHHQBOS-AATRIKPKSA-N
Canonical SMILES : CC1=CC=CC(=C1)C=CC(=O)O
Isomeric SMILES: CC1=CC=CC(=C1)/C=C/C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 116-118 °C Solv: ethyl ether (60-29-7) (2)CAS
Melting Point 115-118 °C Solv: acetone (67-64-1) (3)CAS
Melting Point 115-116 °C Solv: hexane (110-54-3) (4)IC
Melting Point 114.5-115 °C   (5)CAS

Specification

98%

References
  1. (1) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  2. (2) Pardin, Christophe; Journal of Organic Chemistry 2008, V73(15), P5766-5775 CAPLUS
  3. (3) Sharma, Mukul; Archiv der Pharmazie (Weinheim, Germany) 2011, V344(9), P564-571 CAPLUS
  4. (4) Sidorenko, T. N.; Khimiya Geterotsiklicheskikh Soedinenii 1982, (12), P1618-22 CAPLUS
  5. (5) Rasschaert, A.; Bulletin de la Societe Chimique de Belgique 1966, V75(7-8), P449-55 CAPLUS
  6. (6) Pattabiraman, Mahesh; Organic Letters 2005, V7(4), P529-532 CAPLUS
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