Cas no 77525-18-9 (Estragole)
Estragole structure
Product Name:Estragole
CAS No:77525-18-9
MF:C10H12O
MW:148.201683044434
CID:2449225
Update Time:2023-08-07
Estragole Chemical and Physical Properties
Names and Identifiers
-
- Estragole
- 4-Allylanisole
- 1-Allyl-4-methoxybenzene
- p-Allylanisole
- Methyl chavicol
- Tarragon
- Estragol
- Chavicol methyl ether
- Isoanethole
- Esdragon
- Esdragole
- Esdragol
- 4-Methoxyallylbenzene
- Terragon
- Anisole, p-allyl-
- p-Methoxyallylbenzene
- 4-Allylmethoxybenzene
- 4-Allyl-1-methoxybenzene
- Benzene, 1-methoxy-4-(2-propenyl)-
- Methylchavicol
- p-Allylmethoxybenzene
- Chavicyl methyl ether
- Chavicol, O-methyl-
- 3-(p-Methoxyphenyl)propene
- 1-METHOXY-4-(2-PROPENYL)BENZENE
- 1-methoxy-4-prop-2-enylbenzene
-
- Inchi： 1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
- InChI Key： ZFMSMUAANRJZFM-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(=CC=1)CC=C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 112
- XLogP3: 3.4
- Topological Polar Surface Area: 9.2
Experimental Properties
- Density: 0.938
- Boiling Point: 216°C at 760 mmHg
- Flash Point: 81.1°C
- Refractive Index: 1.505
Estragole Related Literature
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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