CAS 65343-67-1 Propanoic acid, 2-(4-hydroxyphenoxy)-, ethyl ester (HCID 3017597)

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Basic information

CAS: 65343-67-1
Standard SMILES: CCOC(=O)C(C)Oc1ccc(O)cc1
InChIKey: ILYSHPJWNMPBPE-UHFFFAOYSA-N
Molecular formula: C11H14O4
Average molar mass: 210.23 g/mol
Monoisotopic mass: 210.08920893

Names & identifiers

Preferred name: Propanoic acid, 2-(4-hydroxyphenoxy)-, ethyl ester
IUPAC: ethyl 2-(4-hydroxyphenoxy)propanoate
English name: ethyl 2-(4-hydroxyphenoxy)propionate
Molecular formula: C11H14O4
Molecular weight: 210.23

Names & synonyms

65343-67-1Ethyl 2-(4-hydroxyphenoxy)propionatePropanoic acid, 2-(4-hydroxyphenoxy)-, ethyl esterRefChem:1096853265-704-4ethyl 2-(4-hydroxyphenoxy)propanoate104773-70-82-(4-hydroxyphenoxy)propanoic acid ethyl esterCHEMBL46282Ethyl2-(4-hydroxyphenoxy)propanoateEINECS 265-704-4MFCD23135279

Show more names

Ethyl (R)-(+)-2-(4-hydroxyphenoxy)propionate2-(4-Hydroxyphenoxy)propionic acid ethyl esterEthyl 2-(4-hydroxyphenoxy)thyl 2-(4-hydroxyphenoxy)propionate2-(p-Hydroxyphenoxy)propionic acid ethyl ester(R) Ethyl - (+) -2- (4-hydroxyphenoxy) propionate

ethyl 4-hydroxyphenoxypropionateSCHEMBL2481397SCHEMBL7692036DTXSID60983966BDBM50114875ethyl-2-(4-hydroxyphenoxy)propanoateAKOS016003486ethyl 2-(4'-hydroxyphenoxy)propionate

Database identifiers

CAS: 65343-67-1
PubChem CID: 3017597

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 197

Experimental & physicochemical properties

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physicochemical properties

Melting point: 30 °C · 30 °C
Boiling point: 165 · 165-167 °C(Press: 0.32 Torr)
Density: 1.156 · 1.156±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 10.09 · 10.09±0.15(Predicted)
InChI: InChI=1S/C11H14O4/c1-3-14-11(13)8(2)15-10-6-4-9(12)5-7-10/h4-8,12H,3H2,1-2H3
InChIKey: ILYSHPJWNMPBPE-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(OC1=CC=C(O)C=C1)C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H412
Precautionary statements: 501 · P501-P273-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H412
Precautionary statements: P501-P273-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330