Cas no 50789-44-1 (m-phenoxybenzyl acetate)
m-phenoxybenzyl acetate structure
Product Name:m-phenoxybenzyl acetate
CAS No:50789-44-1
MF:C15H14O3
MW:242.269864559174
CID:934265
PubChem ID:170904
Update Time:2025-04-19
m-phenoxybenzyl acetate Chemical and Physical Properties
Names and Identifiers
-
- m-phenoxybenzyl acetate
- (3-phenoxyphenyl)methyl acetate
- 3-phenoxybenzyl acetate
- alpha-Hydroxy-3-phenoxytoluene, acetate
- Benzenemethanol, 3-phenoxy-, 1-acetate
- Benzenemethanol, 3-phenoxy-, acetate
- DTXSID50885920
- SCHEMBL2966035
- NS00058310
- EINECS 256-765-8
- 50789-44-1
-
- Inchi： 1S/C15H14O3/c1-12(16)17-11-13-6-5-9-15(10-13)18-14-7-3-2-4-8-14/h2-10H,11H2,1H3
- InChI Key： XPHQNMNGUGOWGU-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C1=CC=CC(COC(C)=O)=C1
Computed Properties
- Exact Mass: 260.10488
- Monoisotopic Mass: 242.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 259
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 1.138
- Boiling Point: 338.8°Cat760mmHg
- Flash Point: 140.2°C
- PSA: 66.76
m-phenoxybenzyl acetate Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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