Ethyl methyl terephthalate

CAT: 0127-OR1006955-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1006955-01Size:1 g

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CAS Number

22163-52-6

Purity

97%

Smiles

C=1(C=CC(=CC1)C(=O)OC)C(=O)OCC

Chemical Information

Ethyl methyl terephthalate

CAS Number	22163-52-6
PubChem CID	596033
IUPAC Name	4-O-ethyl 1-O-methyl benzene-1,4-dicarboxylate
Molecular Formula	C11H12O4
Molecular Weight	208.21
XLogP	2.7
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	229

SMILES

CCOC(=O)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C11H12O4/c1-3-15-11(13)9-6-4-8(5-7-9)10(12)14-2/h4-7H,3H2,1-2H3

InChIKey

SGPZSOQUJLFTMQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22163-52-6

CID: 596033

Formula: C11H12O4

MW: 208.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.21
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	208.07355886
Monoisotopic Mass	208.07355886
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	229
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR27852	Mono-Methyl terephthalate
OR1042940-01	2-Ethylhexyl Methyl Terephthalate
OR1027501-01	2-Hydroxyethyl Methyl Terephthalate
OR1076460	Mono (2-ethyl-5-hydroxyhexyl) terephthalate
OR95297-01	Diphenyl terephthalate
OR93732-01	Diisobutyl terephthalate
OR1060275-01	Dinonyl terephthalate
OR1040061-01	Dibutyl terephthalate
OR911296-01	Dimethyl terephthalate
OR79854-01	Diallyl terephthalate

Catalog	Name
TRC-M328100-5G	mono-Methyl Terephthalate
TRC-H942275-500MG	2-Hydroxyethyl Methyl Terephthalate
AR-B06642-01	2-Ethylhexyl Methyl Terephthalate
TYD-03685-01	Mono (2-ethyl-5-hydroxyhexyl) terephthalate
TYD-03648-01	Mono-2-ethyl-5-carboxypentyl terephthalate
HY-W340552R	2-Hydroxyethyl methyl terephthalate (Standard)
TRC-M525630-10MG	Mono-2-ethyl-5-carboxypentyl Terephthalate (MECPTP)
T207442-01	Mono-2-ethyl-5-carboxypentyl terephthalate-d4
DAA64500-01	1- (2-Hydroxyethyl) 4-methyl terephthalate
TRC-B857895-100MG	2-((tert-Butyldimethylsilyl)oxy)ethyl (2-Hydroxyethyl) Terephthalate