Cas no 66759-85-1 (Dodecanoic acid, 2-butyl-, 2,3-dihydroxypropyl ester)
66759-85-1 structure
Product Name:Dodecanoic acid, 2-butyl-, 2,3-dihydroxypropyl ester
CAS No:66759-85-1
MF:C19H38O4
MW:330.502626895905
CID:395833
PubChem ID:12424135
Update Time:2025-04-19
Dodecanoic acid, 2-butyl-, 2,3-dihydroxypropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Dodecanoic acid, 2-butyl-, 2,3-dihydroxypropyl ester
- 2,3-dihydroxypropyl 2-butyldodecanoate
- 66759-85-1
- DTXSID20497610
-
- Inchi： 1S/C19H38O4/c1-3-5-7-8-9-10-11-12-14-17(13-6-4-2)19(22)23-16-18(21)15-20/h17-18,20-21H,3-16H2,1-2H3
- InChI Key： UJWVVDWILSQWQC-UHFFFAOYSA-N
- SMILES： O(CC(CO)O)C(C(CCCC)CCCCCCCCCC)=O
Computed Properties
- Exact Mass: 330.27714
- Monoisotopic Mass: 330.27700969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 17
- Complexity: 268
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
Dodecanoic acid, 2-butyl-, 2,3-dihydroxypropyl 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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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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