Cas no 46319-71-5 (Benzenepropanol, g-methyl-, 1-acetate)
46319-71-5 structure
Product Name:Benzenepropanol, g-methyl-, 1-acetate
CAS No:46319-71-5
MF:C12H16O2
MW:192.254243850708
CID:331810
PubChem ID:3016455
Update Time:2025-04-19
Benzenepropanol, g-methyl-, 1-acetate Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanol, g-methyl-, 1-acetate
- 3-phenylbutyl acetate
- DCQSJWISXFTJAP-UHFFFAOYSA-N
- SCHEMBL4781947
- DTXSID40963549
- (+)-1-acetoxy-3-phenylbutane
- EINECS 256-262-3
- 46319-71-5
- NS00058104
-
- Inchi： 1S/C12H16O2/c1-10(8-9-14-11(2)13)12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3
- InChI Key： DCQSJWISXFTJAP-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CCC(C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 192.11503
- Monoisotopic Mass: 192.11503
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 171
- 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: 26.3
- XLogP3: 2.8
Experimental Properties
- Density: 0.998
- Boiling Point: 268.8°C at 760 mmHg
- Flash Point: 109.1°C
- Refractive Index: 1.494
Benzenepropanol, g-methyl-, 1-acetate Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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