Cas no 71617-11-3 (Heptanoic acid,1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester)
71617-11-3 structure
Product Name:Heptanoic acid,1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
CAS No:71617-11-3
MF:C17H30O2
MW:266.418905735016
CID:567408
PubChem ID:16205250
Update Time:2025-04-19
Heptanoic acid,1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- Heptanoic acid,1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
- 1,5-dimethyl-1-vinylhex-4-enyl heptanoate
- 3,7-dimethylocta-1,6-dien-3-yl heptanoate
- 1-ethenyl-1,5-dimethylhex-4-en-1-yl heptanoate
- APBQXTVQNYJPRE-UHFFFAOYSA-N
- Linalyl heptanoate
- EINECS 275-703-0
- NS00061252
- 71617-11-3
- DTXSID70992180
-
- Inchi： 1S/C17H30O2/c1-6-8-9-10-13-16(18)19-17(5,7-2)14-11-12-15(3)4/h7,12H,2,6,8-11,13-14H2,1,3-5H3
- InChI Key： APBQXTVQNYJPRE-UHFFFAOYSA-N
- SMILES： O(C(CCCCCC)=O)C(C=C)(C)CC/C=C(\C)/C
Computed Properties
- Exact Mass: 266.2247
- Monoisotopic Mass: 266.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 11
- Complexity: 300
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 5.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.884
- Boiling Point: 318.3°C at 760 mmHg
- Flash Point: 81.7°C
- Refractive Index: 1.457
- PSA: 26.3
Heptanoic acid,1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester Related Literature
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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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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
71617-11-3 (Heptanoic acid,1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester) Related Products
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