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2-Ethylhexyl (2,4-dichlorophenoxy)acetate

CAT: 0572-TRC-E918881-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E918881-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1928-43-4
Hazard Statement
Toxic if swallowed; UN number: UN2810; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl
Molecular Formula
C16 H22 Cl2 O3
Molecular Weight
333.25
InChI
InChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3
Additionnal Information
IUPAC name: 2-ethylhexyl 2-(2,4-dichlorophenoxy)acetate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Ethylhexyl (2,4-dichlorophenoxy)acetate

Sweet smelling liquid.

CAS Number1928-43-4
PubChem CID61286
IUPAC Name2-ethylhexyl 2-(2,4-dichlorophenoxy)acetate
Molecular FormulaC16H22Cl2O3
Molecular Weight333.2
XLogP6.3
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count21
Formal Charge0
Complexity299
SMILES
CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3
InChIKey
QZSFJRIWRPJUOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylhexyl (2,4-dichlorophenoxy)acetate
CAS: 1928-43-4
CID: 61286
Formula: C16H22Cl2O3
MW: 333.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.2
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass332.0945999
Monoisotopic Mass332.0945999
Topological Polar Surface Area35.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity299
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR1078137Butyl 2- (2,4-Dichlorophenoxy) acetate
OR1038172-01Ethyl 2- (2,4-dichlorophenoxy) acetate
OR1055136-01Methyl 2- (2,4-dichlorophenoxy) acetate
FO40433-01Octyl (2,4-dichlorophenoxy) acetate
JH365652-ethylhexyl acetate
OR1058438-01Octan-2-yl 2- (2,4-dichlorophenoxy) acetate
HY-W015304S2-Ethylhexyl acetate-d17
sc-327099AEthyl 2- (5-amino-2,4-dichlorophenoxy) acetate
AR-B02324-01Isopropyl 2- (2,6-dichlorophenoxy) acetate
FD158689-012- (2,4-Dichlorophenoxy) ethanol

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