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Phthalic acid and derivatives

Organic compounds that consist of benzoic acid with an additional carboxylic acid substitution, both groups are located in adjacent carbon atoms; includes compounds that are directly derived from phthalic acid.

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1

Bis(2-ethylhexyl) terephthalate, 97%

CAS: 6422-86-2 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.55 MDL Number: MFCD00072256 InChI Key: RWPICVVBGZBXNA-UHFFFAOYSA-N Synonym: bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester PubChem CID: 22932 IUPAC Name: bis(2-ethylhexyl) benzene-1,4-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC

EDGE
PubChem CID 22932
CAS 6422-86-2
Molecular Weight (g/mol) 390.55
MDL Number MFCD00072256
SMILES CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC
Synonym bis 2-ethylhexyl terephthalate,kodaflex dotp,di-2-ethylhexyl terephthalate,1,4-benzenedicarboxylic acid, bis 2-ethylhexyl ester,terephthalic acid, bis 2-ethylhexyl ester,eastman 168,ccris 7052,di 2-ethylhexyl terephthalate,bis 2-ethylhexyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-bis 2-ethylhexyl ester
IUPAC Name bis(2-ethylhexyl) benzene-1,4-dicarboxylate
InChI Key RWPICVVBGZBXNA-UHFFFAOYSA-N
Molecular Formula C24H38O4
2

Dimethyl terephthalate, 99%

CAS: 120-61-6 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008440 InChI Key: WOZVHXUHUFLZGK-UHFFFAOYSA-N Synonym: dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate PubChem CID: 8441 SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OC

PubChem CID 8441
CAS 120-61-6
Molecular Weight (g/mol) 194.19
MDL Number MFCD00008440
SMILES COC(=O)C1=CC=C(C=C1)C(=O)OC
Synonym dimethyl terephthalate,dimethyl p-phthalate,1,4-benzenedicarboxylic acid, dimethyl ester,dimethyl p-benzenedicarboxylate,di-me terephthalate,dimethyl 4-phthalate,terephthalic acid, dimethyl ester,dimethyl 1,4-benzenedicarboxylate,terephthalic acid dimethyl ester,methyl p-methoxycarbonyl benzoate
InChI Key WOZVHXUHUFLZGK-UHFFFAOYSA-N
Molecular Formula C10H10O4
3

Dimethyl isophthalate, 99%

CAS: 1459-93-4 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008433 InChI Key: VNGOYPQMJFJDLV-UHFFFAOYSA-N Synonym: dimethyl isophthalate,dimethyl m-phthalate,isophthalic acid dimethyl ester,methyl isophthalate,1,3-benzenedicarboxylic acid, dimethyl ester,morflex 1129,dimethyl 1,3-benzenedicarboxylate,dimethylisophthalate,methyl 3-carbomethoxy benzoate,isophthalic acid, dimethyl ester PubChem CID: 15088 IUPAC Name: dimethyl benzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC=C1)C(=O)OC

PubChem CID 15088
CAS 1459-93-4
Molecular Weight (g/mol) 194.19
MDL Number MFCD00008433
SMILES COC(=O)C1=CC(=CC=C1)C(=O)OC
Synonym dimethyl isophthalate,dimethyl m-phthalate,isophthalic acid dimethyl ester,methyl isophthalate,1,3-benzenedicarboxylic acid, dimethyl ester,morflex 1129,dimethyl 1,3-benzenedicarboxylate,dimethylisophthalate,methyl 3-carbomethoxy benzoate,isophthalic acid, dimethyl ester
IUPAC Name dimethyl benzene-1,3-dicarboxylate
InChI Key VNGOYPQMJFJDLV-UHFFFAOYSA-N
Molecular Formula C10H10O4
5

Diethyl terephthalate, 98%

CAS: 636-09-9 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00039891 InChI Key: ONIHPYYWNBVMID-UHFFFAOYSA-N Synonym: diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester PubChem CID: 12483 IUPAC Name: diethyl benzene-1,4-dicarboxylate SMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)OCC

PubChem CID 12483
CAS 636-09-9
Molecular Weight (g/mol) 222.24
MDL Number MFCD00039891
SMILES CCOC(=O)C1=CC=C(C=C1)C(=O)OCC
Synonym diethyl terephthalate,p-diethyl phthalate,diethylterephthalate,terephthalic acid, diethyl ester,1,4-benzenedicarboxylic acid, diethyl ester,diethyl p-phthalate,terephthalic acid diethyl ester,unii-n97x85l3cd,1,4-diethyl benzene-1,4-dicarboxylate,1,4-benzenedicarboxylic acid, 1,4-diethyl ester
IUPAC Name diethyl benzene-1,4-dicarboxylate
InChI Key ONIHPYYWNBVMID-UHFFFAOYSA-N
Molecular Formula C12H14O4
6

Dimethyl 5-hydroxyisophthalate, 99%

CAS: 13036-02-7 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.19 MDL Number: MFCD00134367 InChI Key: DOSDTCPDBPRFHQ-UHFFFAOYSA-N PubChem CID: 83065 SMILES: COC(=O)C1=CC(=CC(O)=C1)C(=O)OC

PubChem CID 83065
CAS 13036-02-7
Molecular Weight (g/mol) 210.19
MDL Number MFCD00134367
SMILES COC(=O)C1=CC(=CC(O)=C1)C(=O)OC
InChI Key DOSDTCPDBPRFHQ-UHFFFAOYSA-N
Molecular Formula C10H10O5
7

Dimethyl aminoterephthalate, 99%

CAS: 5372-81-6 Molecular Formula: C10H11NO4 Molecular Weight (g/mol): 209.2 MDL Number: MFCD00008427 InChI Key: DSSKDXUDARIMTR-UHFFFAOYSA-N Synonym: dimethyl 2-aminoterephthalate,dimethyl aminoterephthalate,dimethyl 3-aminoterephthalate,1,4-benzenedicarboxylic acid, 2-amino-, dimethyl ester,aminoterephthalic acid dimethyl ester,1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate,unii-91sf4e6i9w,2-aminoterephthalic acid, dimethyl ester,3-amino-4-methoxycarbonylbenzoic acid, methyl ester,terephthalic acid, amino-, dimethyl ester PubChem CID: 79336 IUPAC Name: dimethyl 2-aminobenzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)N

PubChem CID 79336
CAS 5372-81-6
Molecular Weight (g/mol) 209.2
MDL Number MFCD00008427
SMILES COC(=O)C1=CC(=C(C=C1)C(=O)OC)N
Synonym dimethyl 2-aminoterephthalate,dimethyl aminoterephthalate,dimethyl 3-aminoterephthalate,1,4-benzenedicarboxylic acid, 2-amino-, dimethyl ester,aminoterephthalic acid dimethyl ester,1,4-dimethyl 2-aminobenzene-1,4-dicarboxylate,unii-91sf4e6i9w,2-aminoterephthalic acid, dimethyl ester,3-amino-4-methoxycarbonylbenzoic acid, methyl ester,terephthalic acid, amino-, dimethyl ester
IUPAC Name dimethyl 2-aminobenzene-1,4-dicarboxylate
InChI Key DSSKDXUDARIMTR-UHFFFAOYSA-N
Molecular Formula C10H11NO4
8

mono-Methyl isophthalate, 97%

CAS: 1877-71-0 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00029972 InChI Key: WMZNGTSLFSJHMZ-UHFFFAOYSA-N Synonym: 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate PubChem CID: 601880 IUPAC Name: 3-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=CC(=C1)C(=O)O

PubChem CID 601880
CAS 1877-71-0
Molecular Weight (g/mol) 180.16
MDL Number MFCD00029972
SMILES COC(=O)C1=CC=CC(=C1)C(=O)O
Synonym 3-methoxycarbonyl benzoic acid,mono-methyl isophthalate,methyl hydrogen isophthalate,isophthalic acid monomethyl ester,monomethyl isophthalate,isophthalic acid methyl ester,isophthalic acid, methyl ester,isophthalic acid, monomethyl ester,methyl m-phthalate,methyl 3-carboxybenzoate
IUPAC Name 3-methoxycarbonylbenzoic acid
InChI Key WMZNGTSLFSJHMZ-UHFFFAOYSA-N
Molecular Formula C9H8O4