Cas no 40628-77-1 (alpha-butylphenethyl acetate)
alpha-butylphenethyl acetate structure
Product Name:alpha-butylphenethyl acetate
CAS No:40628-77-1
MF:C14H20O2
MW:220.307404518127
CID:925988
PubChem ID:170401
Update Time:2025-04-19
alpha-butylphenethyl acetate Chemical and Physical Properties
Names and Identifiers
-
- alpha-butylphenethyl acetate
- 1-phenylhexan-2-yl acetate
- NS00059243
- Benzeneethanol, alpha-butyl-, acetate
- EINECS 255-009-4
- Benzeneethanol, .alpha.-butyl-, acetate
- 40628-77-1
- DTXSID20885811
- Benzeneethanol, .alpha.-butyl-, 1-acetate
- VBVKRNQURKLZNX-UHFFFAOYSA-N
- Benzeneethanol, alpha-butyl-, 1-acetate
-
- Inchi： 1S/C14H20O2/c1-3-4-10-14(16-12(2)15)11-13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3
- InChI Key： VBVKRNQURKLZNX-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(CC1C=CC=CC=1)CCCC
Computed Properties
- Exact Mass: 220.146
- Monoisotopic Mass: 220.146
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 195
- 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: 3.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.978
- Boiling Point: 299.2°C at 760 mmHg
- Flash Point: 109.6°C
- Refractive Index: 1.492
alpha-butylphenethyl acetate Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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