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Bis(2-ethoxyethyl) Phthalate (>90%)

CAT: 0572-TRC-B399785-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B399785-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
605-54-9
Hazard Statement
Suspected of damaging fertility or the unborn child; UN number: UN3077; Packing Group: III
Smiles
CCOCCOC(=O)c1ccccc1C(=O)OCCOCC
Molecular Formula
C16 H22 O6
Molecular Weight
310.34
InChI
InChI=1S/C16H22O6/c1-3-19-9-11-21-15(17)13-7-5-6-8-14(13)16(18)22-12-10-20-4-2/h5-8H,3-4,9-12H2,1-2H3
Additionnal Information
IUPAC name: bis(2-ethoxyethyl) benzene-1,2-dicarboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethoxyethyl) ester
CAS Number605-54-9
PubChem CID69060
IUPAC Namebis(2-ethoxyethyl) benzene-1,2-dicarboxylate
Molecular FormulaC16H22O6
Molecular Weight310.34
XLogP2.2
Topological Polar Surface Area71.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count22
Formal Charge0
Complexity299
SMILES
CCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCC
InChI
InChI=1S/C16H22O6/c1-3-19-9-11-21-15(17)13-7-5-6-8-14(13)16(18)22-12-10-20-4-2/h5-8H,3-4,9-12H2,1-2H3
InChIKey
RMKYMNRQXYPJHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethoxyethyl) ester
CAS: 605-54-9
CID: 69060
Formula: C16H22O6
MW: 310.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight310.34
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass310.14163842
Monoisotopic Mass310.14163842
Topological Polar Surface Area71.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity299
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