Cas no 1572-76-5 (4-(3-methylbutanoyloxy)butyl 3-methylbutanoate)
1572-76-5 structure
Product Name:4-(3-methylbutanoyloxy)butyl 3-methylbutanoate
CAS No:1572-76-5
MF:C14H26O4
MW:258.353845119476
CID:1332969
PubChem ID:243681
Update Time:2025-04-20
4-(3-methylbutanoyloxy)butyl 3-methylbutanoate Chemical and Physical Properties
Names and Identifiers
-
- 4-(3-methylbutanoyloxy)butyl 3-methylbutanoate
- AC1Q67IG
- AG-J-56746
- CTK4C9323
- butane-1,4-diyl bis(3-methylbutanoate)
- NSC53810
- 1,4-Diisovaleryloxy-butan
- AR-1I0987
- AC1L6C3J
- AC1Q67IG; AG-J-56746; CTK4C9323; butane-1,4-diyl bis(3-methylbutanoate); NSC53810; 1,4-Diisovaleryloxy-butan; AR-1I0987; AC1L6C3J;
- 1572-76-5
- DS-014537
- NSC-53810
- DTXSID60288009
-
- Inchi： 1S/C14H26O4/c1-11(2)9-13(15)17-7-5-6-8-18-14(16)10-12(3)4/h11-12H,5-10H2,1-4H3
- InChI Key： NQPMSMAZLWYHRW-UHFFFAOYSA-N
- SMILES： O(C(CC(C)C)=O)CCCCOC(CC(C)C)=O
Computed Properties
- Exact Mass: 258.18318
- Monoisotopic Mass: 258.18310931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 220
- 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: 3.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
- LogP: 2.94520
4-(3-methylbutanoyloxy)butyl 3-methylbutanoate Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
1572-76-5 (4-(3-methylbutanoyloxy)butyl 3-methylbutanoate) Related Products
- 109-19-3(Butyl 3-methylbutanoate)
- 106-27-4(Isopentyl butyrate)
- 1341-38-4(6-Methylheptyl palmitate)
- 103-23-1(Bis(2-ethylhexyl)adipate)
- 141-03-7(dibutyl succinate)
- 539-90-2(isobutyl butyrate)
- 557-00-6(propyl isovalerate)
- 659-70-1(Isopentyl 3-methylbutanoate)
- 589-59-3(isobutyl isovalerate)
- 123-25-1(Diethyl succinate)
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