Cas no 126624-26-8 (1,3-Cyclopentanedione,4-octyl- (9CI))
126624-26-8 structure
Product Name:1,3-Cyclopentanedione,4-octyl- (9CI)
CAS No:126624-26-8
MF:C13H22O2
MW:210.312584400177
CID:154255
PubChem ID:180441
Update Time:2025-04-19
1,3-Cyclopentanedione,4-octyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclopentanedione,4-octyl- (9CI)
- 4-Octyl-1,3-cyclopentanedione
- 4-octylcyclopentane-1,3-dione
- Tsibulin 1d
- 126624-26-8
- DTXSID50925638
- 1,3-Cycopentanedione, 4-octyl-
- Tsibulin 1
- SCHEMBL2812341
- CHEBI:174070
- 5-octylcyclopenta-1,3-dione
-
- Inchi： 1S/C13H22O2/c1-2-3-4-5-6-7-8-11-9-12(14)10-13(11)15/h11H,2-10H2,1H3
- InChI Key： SKPOJVSKGJMOJV-UHFFFAOYSA-N
- SMILES： O=C1CC(CC1CCCCCCCC)=O
Computed Properties
- Exact Mass: 210.16206
- Monoisotopic Mass: 210.16198
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 221
- 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
- Topological Polar Surface Area: 34.1
- XLogP3: 3.8
Experimental Properties
- Density: 0.963
- Boiling Point: 328.1°Cat760mmHg
- Flash Point: 123°C
- Refractive Index: 1.465
- PSA: 34.14
1,3-Cyclopentanedione,4-octyl- (9CI) Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
126624-26-8 (1,3-Cyclopentanedione,4-octyl- (9CI)) Related Products
- 823-36-9(2-Ethyl-1,3-cyclopentanedione)
- 1540-34-7(3-Ethyl-2,4-pentanedione)
- 18362-64-6(2,6-Dimethyl-3,5-heptanedione)
- 137-03-1(2-Heptylcyclopentanone)
- 1670-46-8(2-acetylcyclopentan-1-one)
- 4819-67-4(2-Pentylcyclopentanone)
- 6004-60-0(1-cyclopentylethan-1-one)
- 1120-72-5(2-methylcyclopentan-1-one)
- 765-69-5(2-Methylcyclopentane-1,3-dione)
- 1540-36-9(3-n-Butyl-2,4-pentanedione)
Recommended suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
