Cas no 94087-24-8 (Benzeneacetic acid,[4-(1-methylethyl)phenyl]methyl ester)
94087-24-8 structure
Product Name:Benzeneacetic acid,[4-(1-methylethyl)phenyl]methyl ester
CAS No:94087-24-8
MF:C18H20O2
MW:268.350205421448
CID:810759
PubChem ID:3023427
Update Time:2025-04-19
Benzeneacetic acid,[4-(1-methylethyl)phenyl]methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetic acid,[4-(1-methylethyl)phenyl]methyl ester
- (4-propan-2-ylphenyl)methyl 2-phenylacetate
- 4-isopropylbenzyl phenylacetate
- 94087-24-8
- NS00039969
- EINECS 301-917-1
- DTXSID90240413
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- Inchi: 1S/C18H20O2/c1-14(2)17-10-8-16(9-11-17)13-20-18(19)12-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3
- InChI Key: YLYZPMRGUDMETE-UHFFFAOYSA-N
- SMILES: O(C(CC1C=CC=CC=1)=O)CC1C=CC(=CC=1)C(C)C
Computed Properties
- Exact Mass: 268.146329876g/mol
- Monoisotopic Mass: 268.146329876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 284
- 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: 4.3
- Topological Polar Surface Area: 26.3?2
Benzeneacetic acid,[4-(1-methylethyl)phenyl]methyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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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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