Cas no 16491-54-6 (Butanoic acid,1-ethenylhexyl ester)
16491-54-6 structure
Product Name:Butanoic acid,1-ethenylhexyl ester
CAS No:16491-54-6
MF:C12H22O2
MW:198.301884174347
CID:185524
PubChem ID:24901808
Update Time:2025-04-19
Butanoic acid,1-ethenylhexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,1-ethenylhexyl ester
- 1-OCTEN-3-YL BUTYRATE
- oct-1-en-3-yl butanoate
- 1-Ethenylhexyl butanoate
- 1-Octen-3-ol butyrate
- 1-Pentylallyl butyrate
- 1-Pentylallylbutyrat
- Butanoic acid 1-octen-3-yl ester
- Butyric acid,1-pentylallyl ester
- EINECS 240-555-8
- FEMA No. 3612
- FEMA 3612
- l-Octen-3-yl butyrate
- 1-OCTEN-3-YLBUTYRATEFCC
- Amylvinylcarbinyl butyrate
- butyricacid,1-vinylhexylester
- Butyric acid 1-octen-3-yl ester
- 1-octen-3-olbutyrate
- 1-pentylallylbutyrate
- 1-OCTEN-3-YL BUTYRATE 97+% FCC
-
- MDL： MFCD00036582
- Inchi： 1S/C12H22O2/c1-4-7-8-10-11(6-3)14-12(13)9-5-2/h6,11H,3-5,7-10H2,1-2H3
- InChI Key： LZWFXVJBIZIHCH-UHFFFAOYSA-N
- SMILES： CCCCCC(C=C)OC(CCC)=O
Computed Properties
- Exact Mass: 198.16200
- Monoisotopic Mass: 198.16198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 164
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
Experimental Properties
- Density: 0.87?g/mL?at 25?°C(lit.)
- Melting Point: 225-229?°C(lit.)
- Boiling Point: 225-229?°C(lit.)
- Flash Point: Fahrenheit: 208.4 ° f
Celsius: 98 ° c - Refractive Index: n20/D 1.4295(lit.)
- PSA: 26.30000
- LogP: 3.46460
- FEMA: 3612 | 1-OCTEN-3-YL BUTYRATE
Butanoic acid,1-ethenylhexyl ester Security Information
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：2
- RTECS：ET7030000
Butanoic acid,1-ethenylhexyl ester Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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