Cas no 93981-55-6 (2-Butenoic acid,2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester, (2E)-)
93981-55-6 structure
Product Name:2-Butenoic acid,2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester, (2E)-
CAS No:93981-55-6
MF:C15H24O2
MW:236.349864959717
CID:807995
PubChem ID:20836217
Update Time:2025-04-19
2-Butenoic acid,2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid,2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester, (2E)-
- (Z)-3,7-dimethyl-2,6-octadienyl 2-methylcrotonate
- 93981-55-6
- NS00091247
- Geranyltiglate
- Neryl tiglate
- 2-Butenoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,Z)-
- DTXSID801317755
- EINECS 301-141-3
- OGHBUHJLMHQMHS-FVJRQPFYSA-N
-
- Inchi： 1S/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3/b13-10-,14-6+
- InChI Key： OGHBUHJLMHQMHS-FVJRQPFYSA-N
- SMILES： O(C(/C(=C/C)/C)=O)C/C=C(/C)\CC/C=C(\C)/C
Computed Properties
- Exact Mass: 236.177630004g/mol
- Monoisotopic Mass: 236.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 329
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.7
- Topological Polar Surface Area: 26.3?2
2-Butenoic acid,2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester, (2E)- 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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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
93981-55-6 (2-Butenoic acid,2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester, (2E)-) Related Products
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