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Dimethyl terephthalate

CAT: 0024-sc-239783ASize: 3 KgDry Ice: NoHazardous: No
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CAT#:0024-sc-239783ASize:3 Kg
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CAS Number
120-61-6

Chemical Information

Dimethyl terephthalate

Dimethyl terephthalate is a diester resulting from the formal condensation of the carboxy groups of terephthalic acid with methanol. It is a primary ingredient widely used in the manufacture of polyesters and industrial plastics. It is a methyl ester, a phthalate ester and a diester. It is functionally related to a terephthalic acid.

CAS Number120-61-6
PubChem CID8441
IUPAC Namedimethyl benzene-1,4-dicarboxylate
Molecular FormulaC10H10O4
Molecular Weight194.18
XLogP2.2
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity192
SMILES
COC(=O)C1=CC=C(C=C1)C(=O)OC
InChI
InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3
InChIKey
WOZVHXUHUFLZGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl terephthalate
CAS: 120-61-6
CID: 8441
Formula: C10H10O4
MW: 194.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.18
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass194.05790880
Monoisotopic Mass194.05790880
Topological Polar Surface Area52.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity192
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

Related Products

CatalogName
sc-353234ADimethyl 2- (chlorosulfonyl) terephthalate
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sc-353235Dimethyl 2-[ (phenoxycarbonyl) amino]terephthalate
sc-285434Dimethyl 2-[ (chloroacetyl) amino]terephthalate
sc-326840Dimethyl 2-[ (2-chloropropanoyl) amino]terephthalate
sc-493488Dimethyl 2-[ (2-hydroxy-3-methoxybenzyl) amino]terephthalate
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sc-492536Dimethyl 2-[ (5-bromo-2-hydroxybenzyl) amino]terephthalate
sc-268950Diphenyl terephthalate

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