Cas no 22768-02-1 (Carbonic acid, ethylphenylmethyl ester)
22768-02-1 structure
Product Name:Carbonic acid, ethylphenylmethyl ester
CAS No:22768-02-1
MF:C10H12O3
MW:180.200483322144
CID:272793
PubChem ID:232453
Update Time:2025-04-19
Carbonic acid, ethylphenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonic acid, ethylphenylmethyl ester
- Benzyl ethyl carbonate
- 22768-02-1
- DTXSID40945446
- Carbonic acid, O(1)-benzyl-O(2)-ethyl(ester)
- Benzyl ethyl carbonate #
- NSC409982
- NSC-409982
- benzylethylcarbonate
- AKOS017270165
- SCHEMBL1840737
- NSC29889
- NSC-29889
- FJLGSLSITVQVRJ-UHFFFAOYSA-N
-
- Inchi： 1S/C10H12O3/c1-2-12-10(11)13-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
- InChI Key： FJLGSLSITVQVRJ-UHFFFAOYSA-N
- SMILES： O(C(=O)OCC)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 180.07866
- Monoisotopic Mass: 180.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 150
- 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: 2.7
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 1.091
- Boiling Point: 249.3°C at 760 mmHg
- Flash Point: 93.2°C
- Refractive Index: 1.5
- PSA: 35.53
- LogP: 2.35970
Carbonic acid, ethylphenylmethyl ester Related Literature
-
Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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