Cas no 85136-39-6 (3,7-dimethylocta-2,6-dienyl 2-ethylbutyrate)
85136-39-6 structure
Product Name:3,7-dimethylocta-2,6-dienyl 2-ethylbutyrate
CAS No:85136-39-6
MF:C16H28O2
MW:252.392325401306
CID:889058
PubChem ID:3020406
Update Time:2025-04-19
3,7-dimethylocta-2,6-dienyl 2-ethylbutyrate Chemical and Physical Properties
Names and Identifiers
-
- 3,7-dimethylocta-2,6-dienyl 2-ethylbutyrate
- FT-0626682
- NS00092491
- 85136-39-6
- DTXSID401244184
- 3,7-Dimethyl-2,6-octadien-1-yl 2-ethylbutanoate
- 285-764-5
-
- Inchi： 1S/C16H28O2/c1-6-15(7-2)16(17)18-12-11-14(5)10-8-9-13(3)4/h9,11,15H,6-8,10,12H2,1-5H3
- InChI Key： PFVYLGTZGQUUOT-UHFFFAOYSA-N
- SMILES： O(CC=C(C)CC/C=C(\C)/C)C(C(CC)CC)=O
Computed Properties
- Exact Mass: 252.208930132g/mol
- Monoisotopic Mass: 252.208930132g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 292
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 5.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.89
- Boiling Point: 328.7°C at 760 mmHg
- Flash Point: 98.4°C
- Refractive Index: 1.46
3,7-dimethylocta-2,6-dienyl 2-ethylbutyrate Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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