Cas no 68892-05-7 (10-Undecenoic acid,3,7-dimethyl-2,6-octadien-1-yl ester)
68892-05-7 structure
Product Name:10-Undecenoic acid,3,7-dimethyl-2,6-octadien-1-yl ester
CAS No:68892-05-7
MF:C21H36O2
MW:320.509346961975
CID:515052
PubChem ID:111691
Update Time:2025-04-19
10-Undecenoic acid,3,7-dimethyl-2,6-octadien-1-yl ester Chemical and Physical Properties
Names and Identifiers
-
- 10-Undecenoic acid,3,7-dimethyl-2,6-octadien-1-yl ester
- 3,7-dimethylocta-2,6-dienyl undec-10-enoate
- (2E)-3,7-dimethylocta-2,6-dien-1-yl undec-10-enoate
- 10-Undecenoic acid, 3,7-dimethyl-2,6-octadienyl ester
- Geranyl undec-10-enylate
- 10-Undecenoic acid, 3,7-dimethyl-2,6-octadien-1-yl ester
- 68892-05-7
- undec-10-enoic acid 3,7-dimethyl-oct-2,6-dienyl ester
- LUZKKLNTWSGPEE-UHFFFAOYSA-N
- NS00036735
-
- Inchi： 1S/C21H36O2/c1-5-6-7-8-9-10-11-12-16-21(22)23-18-17-20(4)15-13-14-19(2)3/h5,14,17H,1,6-13,15-16,18H2,2-4H3
- InChI Key： LUZKKLNTWSGPEE-UHFFFAOYSA-N
- SMILES： O(CC=C(C)CC/C=C(\C)/C)C(CCCCCCCCC=C)=O
Computed Properties
- Exact Mass: 320.27168
- Monoisotopic Mass: 320.27153
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 15
- Complexity: 373
- 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
- XLogP3: 7.6
Experimental Properties
- Density: 0.888
- Boiling Point: 405.9°C at 760 mmHg
- Flash Point: 100.2°C
- Refractive Index: 1.47
- PSA: 26.3
10-Undecenoic acid,3,7-dimethyl-2,6-octadien-1-yl ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
68892-05-7 (10-Undecenoic acid,3,7-dimethyl-2,6-octadien-1-yl ester) Related Products
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