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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2-Aminoterephthalic Acid 98.0+%, TCI America™

CAS: 10312-55-7 Molecular Formula: C8H5NO4 Molecular Weight (g/mol): 179.13 MDL Number: MFCD00134536 InChI Key: GPNNOCMCNFXRAO-UHFFFAOYSA-L Synonym: aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751 PubChem CID: 2724822 IUPAC Name: 2-aminobenzene-1,4-dicarboxylate SMILES: NC1=CC(=CC=C1C([O-])=O)C([O-])=O

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PubChem CID	2724822
CAS	10312-55-7
Molecular Weight (g/mol)	179.13
MDL Number	MFCD00134536
SMILES	NC1=CC(=CC=C1C([O-])=O)C([O-])=O
Synonym	aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751
IUPAC Name	2-aminobenzene-1,4-dicarboxylate
InChI Key	GPNNOCMCNFXRAO-UHFFFAOYSA-L
Molecular Formula	C8H5NO4

Bromoterephthalic Acid 98.0+%, TCI America™

CAS: 586-35-6 Molecular Formula: C8H5BrO4 Molecular Weight (g/mol): 245.028 MDL Number: MFCD00002403 InChI Key: QPBGNSFASPVGTP-UHFFFAOYSA-N Synonym: bromoterephthalic acid,2-bromobenzene-1,4-dicarboxylic acid,2-bromoterephthalicacid,2-bromo-terephthalic acid,2-bromo-1,4-benzenedicarboxylic acid,1,4-benzenedicarboxylic acid, 2-bromo,labotest-bb lt00454996,pubchem12798,2-bromo terephthalic acid,acmc-1aoy9 PubChem CID: 68513 IUPAC Name: 2-bromoterephthalic acid SMILES: C1=CC(=C(C=C1C(=O)O)Br)C(=O)O

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PubChem CID	68513
CAS	586-35-6
Molecular Weight (g/mol)	245.028
MDL Number	MFCD00002403
SMILES	C1=CC(=C(C=C1C(=O)O)Br)C(=O)O
Synonym	bromoterephthalic acid,2-bromobenzene-1,4-dicarboxylic acid,2-bromoterephthalicacid,2-bromo-terephthalic acid,2-bromo-1,4-benzenedicarboxylic acid,1,4-benzenedicarboxylic acid, 2-bromo,labotest-bb lt00454996,pubchem12798,2-bromo terephthalic acid,acmc-1aoy9
IUPAC Name	2-bromoterephthalic acid
InChI Key	QPBGNSFASPVGTP-UHFFFAOYSA-N
Molecular Formula	C8H5BrO4

Disodium Terephthalate 99.0+%, TCI America™

CAS: 10028-70-3 Molecular Formula: C8H4Na2O4 Molecular Weight (g/mol): 210.096 MDL Number: MFCD00013137 InChI Key: VIQSRHWJEKERKR-UHFFFAOYSA-L Synonym: disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:? PubChem CID: 82305 IUPAC Name: disodium;terephthalate SMILES: C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]

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PubChem CID	82305
CAS	10028-70-3
Molecular Weight (g/mol)	210.096
MDL Number	MFCD00013137
SMILES	C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Synonym	disodium terephthalate,terephthalic acid disodium salt,terephthalic acid, disodium salt,sodium terephthalate,unii-gi30zoc0oo,gi30zoc0oo,disodiumterephthalate,acmc-1bvw0,disodium terephthalate 5g,1,4-benzenedicarboxylicacid, sodium salt 1:?
IUPAC Name	disodium;terephthalate
InChI Key	VIQSRHWJEKERKR-UHFFFAOYSA-L
Molecular Formula	C8H4Na2O4

2-Hydroxyethyl Methyl Terephthalate 97.0+%, TCI America™

CAS: 3645-00-9 Molecular Formula: C11H12O5 Molecular Weight (g/mol): 224.212 MDL Number: MFCD01321191 InChI Key: DJQMYWWZWUOCBQ-UHFFFAOYSA-N Synonym: Terephthalic Acid 2-Hydroxyethyl Methyl Ester PubChem CID: 77207 IUPAC Name: 4-O-(2-hydroxyethyl) 1-O-methyl benzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C=C1)C(=O)OCCO

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PubChem CID	77207
CAS	3645-00-9
Molecular Weight (g/mol)	224.212
MDL Number	MFCD01321191
SMILES	COC(=O)C1=CC=C(C=C1)C(=O)OCCO
Synonym	Terephthalic Acid 2-Hydroxyethyl Methyl Ester
IUPAC Name	4-O-(2-hydroxyethyl) 1-O-methyl benzene-1,4-dicarboxylate
InChI Key	DJQMYWWZWUOCBQ-UHFFFAOYSA-N
Molecular Formula	C11H12O5

Dimethyl 5-Bromoisophthalate 98.0+%, TCI America™

CAS: 51760-21-5 Molecular Formula: C10H9BrO4 Molecular Weight (g/mol): 273.082 MDL Number: MFCD00078709 InChI Key: QUJINGKSNJNXEB-UHFFFAOYSA-N PubChem CID: 103954 IUPAC Name: dimethyl 5-bromobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)Br)C(=O)OC

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PubChem CID	103954
CAS	51760-21-5
Molecular Weight (g/mol)	273.082
MDL Number	MFCD00078709
SMILES	COC(=O)C1=CC(=CC(=C1)Br)C(=O)OC
IUPAC Name	dimethyl 5-bromobenzene-1,3-dicarboxylate
InChI Key	QUJINGKSNJNXEB-UHFFFAOYSA-N
Molecular Formula	C10H9BrO4

Dimethyl 4-Hydroxyisophthalate 97.0+%, TCI America™

CAS: 5985-24-0 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.185 MDL Number: MFCD00152444 InChI Key: ALBUJVBOIXVVLS-UHFFFAOYSA-N Synonym: 4-Hydroxyisophthalic Acid Dimethyl Ester PubChem CID: 80087 IUPAC Name: dimethyl 4-hydroxybenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=C(C=C1)O)C(=O)OC

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PubChem CID	80087
CAS	5985-24-0
Molecular Weight (g/mol)	210.185
MDL Number	MFCD00152444
SMILES	COC(=O)C1=CC(=C(C=C1)O)C(=O)OC
Synonym	4-Hydroxyisophthalic Acid Dimethyl Ester
IUPAC Name	dimethyl 4-hydroxybenzene-1,3-dicarboxylate
InChI Key	ALBUJVBOIXVVLS-UHFFFAOYSA-N
Molecular Formula	C10H10O5

6-Carboxyfluorescein Hydrate 97.0+%, TCI America™

CAS: 3301-79-9 Molecular Formula: C21H12O7 Molecular Weight (g/mol): 376.32 MDL Number: MFCD00036873 InChI Key: BZTDTCNHAFUJOG-UHFFFAOYSA-N Synonym: 6-carboxyfluorescein,6-fam,carboxyfluorescein,spiro isobenzofuran-1 3h ,9'-9h xanthene-6-carboxylic acid, 3',6'-dihydroxy-3-oxo,3,6,9-trihydroxyxanthen-9-yl terephthalic acid,3',6'-dihydroxy-3-oxo-3h-spiro 2-benzofuran-1,9'-xanthene-6-carboxylic acid,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid,5 6-carboxy fluorescein,bidd:gt0504 PubChem CID: 76806 ChEBI: CHEBI:39073 IUPAC Name: 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid SMILES: C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O

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PubChem CID	76806
CAS	3301-79-9
Molecular Weight (g/mol)	376.32
ChEBI	CHEBI:39073
MDL Number	MFCD00036873
SMILES	C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O
Synonym	6-carboxyfluorescein,6-fam,carboxyfluorescein,spiro isobenzofuran-1 3h ,9'-9h xanthene-6-carboxylic acid, 3',6'-dihydroxy-3-oxo,3,6,9-trihydroxyxanthen-9-yl terephthalic acid,3',6'-dihydroxy-3-oxo-3h-spiro 2-benzofuran-1,9'-xanthene-6-carboxylic acid,3',6'-dihydroxy-3-oxo-3h-spiro isobenzofuran-1,9'-xanthene-6-carboxylic acid,5 6-carboxy fluorescein,bidd:gt0504
IUPAC Name	3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
InChI Key	BZTDTCNHAFUJOG-UHFFFAOYSA-N
Molecular Formula	C21H12O7

Bis(2-ethylhexyl) Isophthalate 98.0+%, TCI America™

CAS: 137-89-3 Molecular Formula: C24H38O4 Molecular Weight (g/mol): 390.564 MDL Number: MFCD00152284 InChI Key: WXZOXVVKILCOPG-UHFFFAOYSA-N Synonym: Isophthalic Acid Bis(2-ethylhexyl) Ester PubChem CID: 8733 IUPAC Name: bis(2-ethylhexyl) benzene-1,3-dicarboxylate SMILES: CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC

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PubChem CID	8733
CAS	137-89-3
Molecular Weight (g/mol)	390.564
MDL Number	MFCD00152284
SMILES	CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC
Synonym	Isophthalic Acid Bis(2-ethylhexyl) Ester
IUPAC Name	bis(2-ethylhexyl) benzene-1,3-dicarboxylate
InChI Key	WXZOXVVKILCOPG-UHFFFAOYSA-N
Molecular Formula	C24H38O4

2,5-Dihydroxyterephthalic Acid 98.0+%, TCI America™

CAS: 610-92-4 Molecular Formula: C8H6O6 Molecular Weight (g/mol): 198.13 MDL Number: MFCD00132933 InChI Key: OYFRNYNHAZOYNF-UHFFFAOYSA-N Synonym: 1,4-benzenedicarboxylic acid, 2,5-dihydroxy,2,5-dihydroxyterephthalicacid,2,5-dihydroxy-1,4-benzenedicarboxylic acid,2,5-dihydroxybenzene-1,4-dicarboxylic acid,zlchem 699,acmc-1ayqi,1, 2,5-dihydroxy,2,5-dihydroxytelephthalic acid,#,2,5-dihydroxyterephthalic acid PubChem CID: 69131 IUPAC Name: 2,5-dihydroxyterephthalic acid SMILES: C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O

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PubChem CID	69131
CAS	610-92-4
Molecular Weight (g/mol)	198.13
MDL Number	MFCD00132933
SMILES	C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O
Synonym	1,4-benzenedicarboxylic acid, 2,5-dihydroxy,2,5-dihydroxyterephthalicacid,2,5-dihydroxy-1,4-benzenedicarboxylic acid,2,5-dihydroxybenzene-1,4-dicarboxylic acid,zlchem 699,acmc-1ayqi,1, 2,5-dihydroxy,2,5-dihydroxytelephthalic acid,#,2,5-dihydroxyterephthalic acid
IUPAC Name	2,5-dihydroxyterephthalic acid
InChI Key	OYFRNYNHAZOYNF-UHFFFAOYSA-N
Molecular Formula	C8H6O6

2,5-Dimethylterephthalic Acid 97.0+%, TCI America™

CAS: 6051-66-7 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00020292 InChI Key: FKUJGZJNDUGCFU-UHFFFAOYSA-N PubChem CID: 299989 IUPAC Name: 2,5-dimethylterephthalic acid SMILES: CC1=CC(=C(C=C1C(=O)O)C)C(=O)O

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PubChem CID	299989
CAS	6051-66-7
Molecular Weight (g/mol)	194.186
MDL Number	MFCD00020292
SMILES	CC1=CC(=C(C=C1C(=O)O)C)C(=O)O
IUPAC Name	2,5-dimethylterephthalic acid
InChI Key	FKUJGZJNDUGCFU-UHFFFAOYSA-N
Molecular Formula	C10H10O4

Dimethyl 5-Aminoisophthalate 98.0+%, TCI America™

CAS: 99-27-4 Molecular Formula: C10H11NO4 Molecular Weight (g/mol): 209.201 MDL Number: MFCD00008435 InChI Key: DEKPYXUDJRABNK-UHFFFAOYSA-N PubChem CID: 66831 IUPAC Name: dimethyl 5-aminobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)N)C(=O)OC

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PubChem CID	66831
CAS	99-27-4
Molecular Weight (g/mol)	209.201
MDL Number	MFCD00008435
SMILES	COC(=O)C1=CC(=CC(=C1)N)C(=O)OC
IUPAC Name	dimethyl 5-aminobenzene-1,3-dicarboxylate
InChI Key	DEKPYXUDJRABNK-UHFFFAOYSA-N
Molecular Formula	C10H11NO4

Diethyl Terephthalate 99.0+%, TCI America™

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

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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

Sigma Aldrich Dioctyl terephthalate

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

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Boiling Point	400°C
Linear Formula	C6H4-1,4-[CO2CH2CH(C2H5)(CH2)3 CH3]2
Molecular Weight (g/mol)	390.56
Density	0.986 g/mL (at 25°C)
Percent Purity	≥96%
CAS	6422-86-2
MDL Number	MFCD00072256
Refractive Index	n20/D 1.49 (literature)
Synonym	Bis(2-ethylhexyl) terephthalate
RTECS Number	WZ0883500
Recommended Storage	Room Temperature
Molecular Formula	C24H38O4
EINECS Number	229-176-9
Melting Point	-48°C

CAS	51-20-7

Sigma Aldrich 3,5,5-Trimethylhexanal

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CAS	5435-64-3

Phthalic acid and derivatives

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