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Bis(2-methoxyethyl) Phthalate

CAT: 0572-TRC-B487510-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B487510-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117-82-8
Hazard Statement
May damage fertility or the unborn child
Purity
>95% (HPLC)
Smiles
COCCOC(=O)c1ccccc1C(=O)OCCOC
Molecular Formula
C14 H18 O6
Molecular Weight
282.29
InChI
InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3
Additionnal Information
IUPAC name: bis(2-methoxyethyl) benzene-1,2-dicarboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dimethoxyethyl phthalate

bis(2-methoxyethyl) phthalate has been reported in Lonicera japonica with data available.

CAS Number117-82-8
PubChem CID8344
IUPAC Namebis(2-methoxyethyl) benzene-1,2-dicarboxylate
Molecular FormulaC14H18O6
Molecular Weight282.29
XLogP1.4
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count20
Formal Charge0
Complexity274
SMILES
COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC
InChI
InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3
InChIKey
HSUIVCLOAAJSRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethoxyethyl phthalate
CAS: 117-82-8
CID: 8344
Formula: C14H18O6
MW: 282.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.29
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass282.11033829
Monoisotopic Mass282.11033829
Topological Polar Surface Area71.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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