Cas no 21063-71-8 (4-Octenoic acid, methylester, (4Z)-)
21063-71-8 structure
Product Name:4-Octenoic acid, methylester, (4Z)-
CAS No:21063-71-8
MF:C9H16O2
MW:156.222143173218
CID:254685
Update Time:2025-04-19
4-Octenoic acid, methylester, (4Z)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Octenoic acid, methylester, (4Z)-
- methyl (Z)-oct-4-enoate
- cis-4-Octenoic acid, methyl ester
- Methyl (4Z)-4-octenoate
- Methyl (Z)-4-octenoate
- Methyl 4-octenoate, (Z)-
- Methyl cis-4-octenoate
-
- Inchi： 1S/C9H16O2/c1-3-4-5-6-7-8-9(10)11-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
- InChI Key： SSPBQLGVUAXSMH-AATRIKPKSA-N
- SMILES： CCC/C=C/CCC(OC)=O
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.11503
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 128
- 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
- Topological Polar Surface Area: 26.3
Experimental Properties
- Density: 0.896
- Boiling Point: 173.9°Cat760mmHg
- Flash Point: 57.3°C
- Refractive Index: 1.436
- PSA: 26.3
- FEMA: 3367 | METHYL CIS-4-OCTENOATE
4-Octenoic acid, methylester, (4Z)- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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