Basic information
- CAS
3344-19-2- Standard SMILES
CCOC(=O)COc1ccc(C(C)(C)C)cc1- InChIKey
XKOOVHYJLVRPNR-UHFFFAOYSA-N- Molecular formula
- C14H20O3
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.1412445
Names & identifiers
- Preferred name
- Ethyl (4-tert-butylphenoxy)acetate
- IUPAC
- ethyl 2-(4-tert-butylphenoxy)acetate
- English name
- ethyl [4-(1,1-dimethylethyl)phenoxy]acetate
- Molecular formula
- C14H20O3
- Molecular weight
- 236.31
Names & synonyms
Ethyl (4-tert-butylphenoxy)acetate3344-19-2ethyl 2-(4-tert-butylphenoxy)acetateEthyl 2-[4-(1,1-dimethylethyl)phenoxy]acetateSCHEMBL12412550DTXSID20955068XKOOVHYJLVRPNR-UHFFFAOYSA-NEINECS 222-094-4STK003692AKOS003658789NS00047810Ethyl (4-(1,1-dimethylethyl)phenoxy)acetate
Show more names
p-tert-Butylphenoxyacetic acid ethyl esterethyl [4-(1,1-dimethylethyl)phenoxy]acetate(4-tert-Butylphenoxy)acetic acid ethyl esterAcetic acid, 2-[4-(1,1-dimethylethyl)phenoxy]-, ethyl ester
(4-tert-butyl-phenoxy)-acetic acid ethyl esterH82045
Database identifiers
- CAS
3344-19-2- PubChem CID
- 76867
- DTXSID
DTXSID20955068- EC Number
- 222-094-4
- Nikkaji
- J99.800A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 180 · 180-182 °C(Press: 15 Torr)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- InChI
- 1S/C14H20O3/c1-5-16-13(15)10-17-12-8-6-11(7-9-12)14(2,3)4/h6-9H,5,10H2,1-4H3
- SMILES
- CC(C)(C)C(C=C1)=CC=C1OCC(OCC)=O
Chemistry & industry
Suppliers7 total
山东玖玥生物科技有限公司15553333686 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
济南荣科药业有限公司18615606162 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
山东明德生物技术有限公司18560864701 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
山东明德生物技术有限公司15553348166 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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