Cas no 81422-01-7 (Acetic acid,2-(3,4-dimethylphenoxy)-, 2-hydroxyethyl ester)
81422-01-7 structure
Product Name:Acetic acid,2-(3,4-dimethylphenoxy)-, 2-hydroxyethyl ester
CAS No:81422-01-7
MF:C12H16O4
MW:224.253044128418
CID:727984
PubChem ID:3018998
Update Time:2025-04-19
Acetic acid,2-(3,4-dimethylphenoxy)-, 2-hydroxyethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid,2-(3,4-dimethylphenoxy)-, 2-hydroxyethyl ester
- 2-hydroxyethyl (3,4-dimethylphenoxy)acetate
- 2-hydroxyethyl 2-(3,4-dimethylphenoxy)acetate
- DTXSID501001981
- NS00059997
- SCHEMBL5265498
- 81422-01-7
- EINECS 279-759-7
-
- Inchi: 1S/C12H16O4/c1-9-3-4-11(7-10(9)2)16-8-12(14)15-6-5-13/h3-4,7,13H,5-6,8H2,1-2H3
- InChI Key: FMTPLFOLRWJUOC-UHFFFAOYSA-N
- SMILES: O(CC(=O)OCCO)C1C=CC(C)=C(C)C=1
Computed Properties
- Exact Mass: 224.105
- Monoisotopic Mass: 224.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 217
- 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: 1.9
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- Density: 1.141
- Boiling Point: 377.8°C at 760 mmHg
- Flash Point: 143.5°C
- Refractive Index: 1.52
Acetic acid,2-(3,4-dimethylphenoxy)-, 2-hydroxyethyl ester Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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