Cas no 51532-28-6 (Hexanoic acid, (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl ester)
51532-28-6 structure
Product Name:Hexanoic acid, (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl ester
CAS No:51532-28-6
MF:C21H36O2
MW:320.509346961975
CID:362062
PubChem ID:529262
Update Time:2025-04-19
Hexanoic acid, (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl ester
- 3,7,11-trimethyldodeca-2,6,10-trienyl hexanoate
- 51532-28-6
- DTXSID00336134
- SCHEMBL3502556
- farnesyl hexanoate
-
- Inchi： 1S/C21H36O2/c1-6-7-8-15-21(22)23-17-16-20(5)14-10-13-19(4)12-9-11-18(2)3/h11,13,16H,6-10,12,14-15,17H2,1-5H3
- InChI Key： RLRVQTPROCYANT-UHFFFAOYSA-N
- SMILES： O(CC=C(C)CCC=C(C)CC/C=C(\C)/C)C(CCCCC)=O
Computed Properties
- Exact Mass: 320.27168
- Monoisotopic Mass: 320.271530387g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 13
- Complexity: 410
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 7.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Hexanoic acid, (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
51532-28-6 (Hexanoic acid, (2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl ester) Related Products
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