Cas no 4654-29-9 (2-methylbutyl cinnamate)
2-methylbutyl cinnamate structure
Product Name:2-methylbutyl cinnamate
CAS No:4654-29-9
MF:C14H18O2
MW:218.291524410248
CID:930424
PubChem ID:107318
Update Time:2025-04-19
2-methylbutyl cinnamate Chemical and Physical Properties
Names and Identifiers
-
- 2-methylbutyl cinnamate
- 2-methylbutyl (E)-3-phenylprop-2-enoate
- 4654-29-9
- DTXSID00863430
- SEGJDCGIQJESDC-UHFFFAOYSA-N
- DB-251605
-
- Inchi： 1S/C14H18O2/c1-3-12(2)11-16-14(15)10-9-13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3
- InChI Key： SEGJDCGIQJESDC-UHFFFAOYSA-N
- SMILES： O(C(C=CC1C=CC=CC=1)=O)CC(C)CC
Computed Properties
- Exact Mass: 218.13074
- Monoisotopic Mass: 218.131
- 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
- XLogP3: 4.3
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- Density: 1.006
- Boiling Point: 313.2°C at 760 mmHg
- Flash Point: 165.2°C
- Refractive Index: 1.53
- PSA: 26.3
- LogP: 3.28910
2-methylbutyl cinnamate Related Literature
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
4654-29-9 (2-methylbutyl cinnamate) Related Products
- 7778-83-8(Propyl cinnamate)
- 7779-65-9(Isopentyl cinnamate)
- 123248-21-5((e)-3-p-tolyl-acrylic acid butyl ester)
- 3487-99-8(Pentyl cinnamate)
- 122-67-8(2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester)
- 10032-08-3(Heptyl cinnamate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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