Cas no 69038-78-4 (2-Propenoic acid,3-phenyl-, octyl ester)
69038-78-4 structure
Product Name:2-Propenoic acid,3-phenyl-, octyl ester
CAS No:69038-78-4
MF:C17H24O2
MW:260.371265411377
CID:511784
PubChem ID:5273468
Update Time:2025-04-19
2-Propenoic acid,3-phenyl-, octyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-phenyl-, octyl ester
- OCTYL CINNAMATE
- 3-Phenylpropenoic acid octyl ester
- cinnamic acid octyl ester
- n-octyl cinnamate
- trans-cinnamicacidoctylester
- SCHEMBL157362
- NS00062514
- CHEMBL1911017
- octyl (E)-3-phenylprop-2-enoate
- 69038-78-4
- EINECS 273-842-1
- trans-cinnamic acid octyl ester
- 3-Phenyl-acrylic acid, octyl ester
-
- Inchi： 1S/C17H24O2/c1-2-3-4-5-6-10-15-19-17(18)14-13-16-11-8-7-9-12-16/h7-9,11-14H,2-6,10,15H2,1H3/b14-13+
- InChI Key： VIKVSUVYUVJHOA-BUHFOSPRSA-N
- SMILES： O(C(/C=C/C1C=CC=CC=1)=O)CCCCCCCC
Computed Properties
- Exact Mass: 260.17800
- Monoisotopic Mass: 260.17763
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 10
- Complexity: 252
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6
- Topological Polar Surface Area: 26.3
Experimental Properties
- Density: 0.979
- Boiling Point: 365.2°C at 760 mmHg
- Flash Point: 194.3°C
- Refractive Index: 1.52
- PSA: 26.30000
- LogP: 4.60350
2-Propenoic acid,3-phenyl-, octyl ester Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
69038-78-4 (2-Propenoic acid,3-phenyl-, octyl ester) Related Products
- 7778-83-8(Propyl cinnamate)
- 7779-65-9(Isopentyl cinnamate)
- 103-36-6(Ethyl cinnamate)
- 4610-69-9(cis-Ethyl Cinnamate (contains up to 10% Ethyl dihydrocinnamate))
- 20511-20-0(Ethyl 4-Methylcinnamate)
- 3487-99-8(Pentyl cinnamate)
- 122-67-8(2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester)
- 122-69-0(2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester)
- 10032-08-3(Heptyl cinnamate)
- 1866-31-5(Allyl cinnamate)
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