Cas no 18295-02-8 ( )
structure
Product Name:
CAS No:18295-02-8
MF:C12H24O3
MW:216.317164421082
CID:907086
PubChem ID:347866
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- butyl 2-hydroxyoctanoate
- (+-)-2-Hydroxy-caprylsaeure-butylester
- 2-Hydroxy-octansaeure-butylester
- AC1L88AE
- n-butyl 2-hydroxyoctanoate
- NSC406769
- SCHEMBL8379735
- 18295-02-8
- NSC-406769
- DTXSID20324452
- butyl 2-hydroxy caprylate
-
-
- Inchi： 1S/C12H24O3/c1-3-5-7-8-9-11(13)12(14)15-10-6-4-2/h11,13H,3-10H2,1-2H3
- InChI Key： UPDJYNWVCBAVCS-UHFFFAOYSA-N
- SMILES： O(CCCC)C(C(CCCCCC)O)=O
Computed Properties
- Exact Mass: 216.17262
- Monoisotopic Mass: 216.17254462g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 10
- Complexity: 157
- 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
- XLogP3: 3.6
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
- LogP: 2.66100
Related Literature
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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