Cas no 71412-26-5 (1-Butanol,2,3-dimethyl-, 1-acetate)
71412-26-5 structure
Product Name:1-Butanol,2,3-dimethyl-, 1-acetate
CAS No:71412-26-5
MF:C8H16O2
MW:144.211442947388
CID:571112
PubChem ID:3018125
Update Time:2025-04-19
1-Butanol,2,3-dimethyl-, 1-acetate Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanol,2,3-dimethyl-, 1-acetate
- 2,3-Dimethylbutyl acetate
- EINECS 275-432-8
- 71412-26-5
- NS00062081
- SCHEMBL6783950
- DTXSID70991774
-
- Inchi： 1S/C8H16O2/c1-6(2)7(3)5-10-8(4)9/h6-7H,5H2,1-4H3
- InChI Key： WFDGVYOPMMQGAR-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CC(C)C(C)C
Computed Properties
- Exact Mass: 144.11508
- Monoisotopic Mass: 144.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 108
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.874
- Boiling Point: 144.4°C at 760 mmHg
- Flash Point: 34.7°C
- Refractive Index: 1.409
- PSA: 26.3
1-Butanol,2,3-dimethyl-, 1-acetate Related Literature
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
71412-26-5 (1-Butanol,2,3-dimethyl-, 1-acetate) Related Products
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- 40379-24-6(Isononyl acetate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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