Cas no 86385-53-7 (Butanoic acid, 3-oxo-, 6-hydroxyhexyl ester)
86385-53-7 structure
Product Name:Butanoic acid, 3-oxo-, 6-hydroxyhexyl ester
CAS No:86385-53-7
MF:C10H18O4
MW:202.247523784637
CID:661803
PubChem ID:20478700
Update Time:2025-04-19
Butanoic acid, 3-oxo-, 6-hydroxyhexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 3-oxo-, 6-hydroxyhexyl ester
- 6-hydroxyhexyl 3-oxobutanoate
- AFNDKDNUFJJTRN-UHFFFAOYSA-N
- SCHEMBL11178958
- acetoacetic acid 6-hydroxyhexyl ester
- 86385-53-7
- DTXSID40607754
-
- Inchi： 1S/C10H18O4/c1-9(12)8-10(13)14-7-5-3-2-4-6-11/h11H,2-8H2,1H3
- InChI Key： AFNDKDNUFJJTRN-UHFFFAOYSA-N
- SMILES： O(C(CC(C)=O)=O)CCCCCCO
Computed Properties
- Exact Mass: 202.12050905g/mol
- Monoisotopic Mass: 202.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 177
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 63.6?2
Butanoic acid, 3-oxo-, 6-hydroxyhexyl ester Related Literature
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
86385-53-7 (Butanoic acid, 3-oxo-, 6-hydroxyhexyl ester) Related Products
- 2052-15-5(Butyl 4-oxopentanoate)
- 4949-44-4(Ethyl 3-oxopentanoate)
- 13984-57-1(Ethyl 5-oxohexanoate)
- 7152-15-0(Ethyl isobutyrylacetate)
- 22502-03-0(2-Methoxyethyl acetoacetate)
- 539-88-8(Ethyl levulinate)
- 105-50-0(Diethyl 3-oxopentanedioate)
- 3249-68-1(Ethyl butyrylacetate)
- 30414-53-0(Methyl 3-oxopentanoate)
- 1830-54-2(Dimethyl acetone-1,3-dicarboxylate)
Recommended suppliers
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
