Cas no 67883-77-6 (3-phenylallyl 2-methylbutyrate)
67883-77-6 structure
Product Name:3-phenylallyl 2-methylbutyrate
CAS No:67883-77-6
MF:C14H18O2
MW:218.291524410248
CID:967541
PubChem ID:6437280
Update Time:2025-04-19
3-phenylallyl 2-methylbutyrate Chemical and Physical Properties
Names and Identifiers
-
- 3-phenylallyl 2-methylbutyrate
- NS00053284
- EINECS 267-552-4
- Butanoic acid, 2-methyl-, 3-phenyl-2-propen-1-yl ester
- Cinnamyl 2-methylbutyrate
- Butanoic acid, 2-methyl-, 3-phenyl-2-propenyl ester
- 67883-77-6
- DTXSID20887012
- OQFRRXKRZQFDEI-UHFFFAOYSA-N
-
- Inchi： 1S/C14H18O2/c1-3-12(2)14(15)16-11-7-10-13-8-5-4-6-9-13/h4-10,12H,3,11H2,1-2H3
- InChI Key： OQFRRXKRZQFDEI-UHFFFAOYSA-N
- SMILES： O(CC=CC1C=CC=CC=1)C(C(C)CC)=O
Computed Properties
- Exact Mass: 218.13068
- Monoisotopic Mass: 218.13068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 3.7
Experimental Properties
- Density: 1.006
- Boiling Point: 323°C at 760 mmHg
- Flash Point: 128.3°C
- Refractive Index: 1.53
3-phenylallyl 2-methylbutyrate Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
67883-77-6 (3-phenylallyl 2-methylbutyrate) Related Products
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