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Carboxylic acids and derivatives

Organic compounds that contain a carboxyl group bonded to an organic functional group; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from carboxylic acids.
Carboxylic acid amides (11)
Carboxylic acid esters (45)
Carboxylic acid hydrazides (2)
Carboxylic acid imides (5)
Hydrazinecarboxylic acids and derivatives (9)
Monocarboxylic acids and derivatives (28)
Pentacarboxylic acids and derivatives (3)
Tetracarboxylic acids and derivatives (20)
Tricarboxylic acids and derivatives (4)

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Thermo Scientific Chemicals Ethylenediaminetetraacetic acid, 99%, pure

CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O

EDGE
PubChem CID 6049
CAS 60-00-4
Molecular Weight (g/mol) 292.24
ChEBI CHEBI:42191
MDL Number MFCD00003541
SMILES OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
Synonym edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol
IUPAC Name 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
InChI Key KCXVZYZYPLLWCC-UHFFFAOYSA-N
Molecular Formula C10H16N2O8
2
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trans-1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic Acid Monohydrate, 98%

CAS: 125572-95-4 Molecular Formula: C14H20N2O8 Molecular Weight (g/mol): 344.32 MDL Number: MFCD00149243,MFCD00066429,MFCD00003845 InChI Key: FCKYPQBAHLOOJQ-NXEZZACHSA-L Synonym: 2,2',2,2'-trans-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,dcyta,trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic acid monohydrate,1,2-cyclohexanedinitrilotetraacetic acid,2,2',2,2'-1r,2r-rel-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,trans-1,2-cyclohexanediaminetetraacetic acid monohydrate,cdta monohydrate,ctda monohydrate,chel-cd,chel r-cd PubChem CID: 2723844 SMILES: [O-]C(=O)C[NH+](CC([O-])=O)[C@@H]1CCCC[C@H]1[NH+](CC([O-])=O)CC([O-])=O

EDGE
PubChem CID 2723844
CAS 125572-95-4
Molecular Weight (g/mol) 344.32
MDL Number MFCD00149243,MFCD00066429,MFCD00003845
SMILES [O-]C(=O)C[NH+](CC([O-])=O)[C@@H]1CCCC[C@H]1[NH+](CC([O-])=O)CC([O-])=O
Synonym 2,2',2,2'-trans-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,dcyta,trans-1,2-diaminocyclohexane-n,n,n',n'-tetraacetic acid monohydrate,1,2-cyclohexanedinitrilotetraacetic acid,2,2',2,2'-1r,2r-rel-cyclohexane-1,2-diylbis azanetriyl tetraacetic acid hydrate,trans-1,2-cyclohexanediaminetetraacetic acid monohydrate,cdta monohydrate,ctda monohydrate,chel-cd,chel r-cd
InChI Key FCKYPQBAHLOOJQ-NXEZZACHSA-L
Molecular Formula C14H20N2O8
3
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Thermo Scientific Chemicals Ethylenediaminetetraacetic acid, disodium salt dihydrate, 99+%, for analysis

CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L Synonym: edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs PubChem CID: 44120005 IUPAC Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O

EDGE
PubChem CID 44120005
CAS 6381-92-6
Molecular Weight (g/mol) 372.24
MDL Number MFCD00150037,MFCD00003541
SMILES O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
Synonym edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs
IUPAC Name disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate
InChI Key OVBJJZOQPCKUOR-UHFFFAOYSA-L
Molecular Formula C10H18N2Na2O10
4

Biphenyl-3,3',5,5'-tetracarboxylic acid, Thermo Scientific Chemicals

CAS: 4371-28-2 Molecular Formula: C16H10O8 Molecular Weight (g/mol): 330.25 MDL Number: MFCD16621475 InChI Key: QURGMSIQFRADOZ-UHFFFAOYSA-N IUPAC Name: [1,1'-biphenyl]-3,3',5,5'-tetracarboxylic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(O)=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O

CAS 4371-28-2
Molecular Weight (g/mol) 330.25
MDL Number MFCD16621475
SMILES OC(=O)C1=CC(=CC(=C1)C(O)=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O
IUPAC Name [1,1'-biphenyl]-3,3',5,5'-tetracarboxylic acid
InChI Key QURGMSIQFRADOZ-UHFFFAOYSA-N
Molecular Formula C16H10O8
5
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Methyl methacrylate, 99%, stabilized

CAS: 80-62-6 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00008587 InChI Key: VVQNEPGJFQJSBK-UHFFFAOYSA-N Synonym: methyl methacrylate,methylmethacrylate,methacrylic acid methyl ester,methyl methylacrylate,methyl 2-methylpropenoate,pegalan,methyl-methacrylat,diakon,acryester m,methyl 2-methyl-2-propenoate PubChem CID: 6658 ChEBI: CHEBI:34840 IUPAC Name: methyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC

PubChem CID 6658
CAS 80-62-6
Molecular Weight (g/mol) 100.12
ChEBI CHEBI:34840
MDL Number MFCD00008587
SMILES CC(=C)C(=O)OC
Synonym methyl methacrylate,methylmethacrylate,methacrylic acid methyl ester,methyl methylacrylate,methyl 2-methylpropenoate,pegalan,methyl-methacrylat,diakon,acryester m,methyl 2-methyl-2-propenoate
IUPAC Name methyl 2-methylprop-2-enoate
InChI Key VVQNEPGJFQJSBK-UHFFFAOYSA-N
Molecular Formula C5H8O2
6

Trifluoroacetic anhydride, 99+%

CAS: 407-25-0 Molecular Formula: C4F6O3 Molecular Weight (g/mol): 210.03 MDL Number: MFCD00000416 InChI Key: QAEDZJGFFMLHHQ-UHFFFAOYSA-N Synonym: trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove PubChem CID: 9845 IUPAC Name: (2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate SMILES: FC(F)(F)C(=O)OC(=O)C(F)(F)F

PubChem CID 9845
CAS 407-25-0
Molecular Weight (g/mol) 210.03
MDL Number MFCD00000416
SMILES FC(F)(F)C(=O)OC(=O)C(F)(F)F
Synonym trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove
IUPAC Name (2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
InChI Key QAEDZJGFFMLHHQ-UHFFFAOYSA-N
Molecular Formula C4F6O3
7

Isopropyl acetate, 99+%, pure

CAS: 108-21-4 MDL Number: MFCD00008877 InChI Key: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC Name: propan-2-yl acetate SMILES: CC(C)OC(=O)C

PubChem CID 7915
CAS 108-21-4
MDL Number MFCD00008877
SMILES CC(C)OC(=O)C
Synonym isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester
IUPAC Name propan-2-yl acetate
InChI Key JMMWKPVZQRWMSS-UHFFFAOYSA-N
8
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Methyl formate, 97%, pure

CAS: 107-31-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00003291 InChI Key: TZIHFWKZFHZASV-UHFFFAOYSA-N Synonym: formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 PubChem CID: 7865 ChEBI: CHEBI:77699 IUPAC Name: methyl formate SMILES: COC=O

PubChem CID 7865
CAS 107-31-3
Molecular Weight (g/mol) 60.05
ChEBI CHEBI:77699
MDL Number MFCD00003291
SMILES COC=O
Synonym formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3
IUPAC Name methyl formate
InChI Key TZIHFWKZFHZASV-UHFFFAOYSA-N
Molecular Formula C2H4O2
9
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Thermo Scientific Chemicals Ethylenediaminetetraacetic acid, disodium salt dihydrate, 99+%, for molecular biology, DNAse, RNAse and Protease free

CAS: 6381-92-6 Molecular Formula: C10H18N2Na2O10 Molecular Weight (g/mol): 372.24 MDL Number: MFCD00150037,MFCD00003541 InChI Key: OVBJJZOQPCKUOR-UHFFFAOYSA-L Synonym: edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs PubChem CID: 44120005 IUPAC Name: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O

PubChem CID 44120005
CAS 6381-92-6
Molecular Weight (g/mol) 372.24
MDL Number MFCD00150037,MFCD00003541
SMILES O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
Synonym edta disodium salt,cal-ex decalcifier,buffer solution, ph 10.00,sodium di ethylenediamine tetraacetate dihydrate,ethylenediamine tetraacetic acid, disodium salt dihydrate,ethylenediamine tetraacetic acid, disodium salt, standard solution,sodium di ethylenediamine tetraacetate standard solution,ethylenedinitrilo tetraacetic acid disodium, dihydrate, reagent, acs
IUPAC Name disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;dihydrate
InChI Key OVBJJZOQPCKUOR-UHFFFAOYSA-L
Molecular Formula C10H18N2Na2O10
10

Tributyl citrate, 99+%

CAS: 77-94-1 Molecular Formula: C18H32O7 Molecular Weight (g/mol): 360.45 MDL Number: MFCD00027217 InChI Key: ZFOZVQLOBQUTQQ-UHFFFAOYSA-N Synonym: tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester PubChem CID: 6507 IUPAC Name: tributyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC

PubChem CID 6507
CAS 77-94-1
Molecular Weight (g/mol) 360.45
MDL Number MFCD00027217
SMILES CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
Synonym tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester
IUPAC Name tributyl 2-hydroxypropane-1,2,3-tricarboxylate
InChI Key ZFOZVQLOBQUTQQ-UHFFFAOYSA-N
Molecular Formula C18H32O7
11
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Methyl formate, 98%, for spectroscopy

CAS: 107-31-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00003291 InChI Key: TZIHFWKZFHZASV-UHFFFAOYSA-N Synonym: formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 PubChem CID: 7865 ChEBI: CHEBI:77699 IUPAC Name: methyl formate SMILES: COC=O

PubChem CID 7865
CAS 107-31-3
Molecular Weight (g/mol) 60.05
ChEBI CHEBI:77699
MDL Number MFCD00003291
SMILES COC=O
Synonym formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3
IUPAC Name methyl formate
InChI Key TZIHFWKZFHZASV-UHFFFAOYSA-N
Molecular Formula C2H4O2
12

Thermo Scientific Chemicals Diethylenetriaminepentaacetic acid, pentasodium salt, tech., 40% aqueous solution

CAS: 140-01-2 | C14H18N3Na5O10 | 503.26 g/mol

Linear Formula NaOCOCH2N(CH2CH2N(CH2COONa)2)2
Molecular Weight (g/mol) 503.26
InChI Key LQPLDXQVILYOOL-UHFFFAOYSA-I
Density 1.2900g/mL
PubChem CID 8779
Name Note 40% Aqueous Solution
Percent Purity 39 to 41%
pH 11.0 to 12.0 (1% aq. soln.)
Formula Weight 503.26
Melting Point -40°C
Boiling Point 106°C
Physical Form Solution
Chemical Name or Material Diethylenetriaminepentaacetic acid, pentasodium salt
Grade Technical
SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
CAS 7732-18-5
Health Hazard 3 GHS P Statement
Wash face,hands and any exposed skin thoroughly after handling.
Wear eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes.
Remove contact lenses,if present and easy to do.
Cont
MDL Number MFCD00051016
Health Hazard 2 GHS H Statement
Causes serious eye irritation.
Solubility Information Solubility in water: soluble. Other solubilities: mixible with many organic solvents
Packaging Glass bottle
Flash Point >100°C
Health Hazard 1 GHS Signal Word: Warning
Refractive Index 1.4185 to 1.4205
Synonym pentasodium dtpa,tetralon b,trilon c,versenex 80,pentasodium pentetate,hamp-ex 80,detarex py,kiresuto p,chelest p,plexene d
IUPAC Name pentasodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
Beilstein 04, III, 1190
Molecular Formula C14H18N3Na5O10
EINECS Number 205-391-3
Specific Gravity 1.29
13
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Dimethyl Phthalate, 99%

CAS: 131-11-3 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00008425 InChI Key: NIQCNGHVCWTJSM-UHFFFAOYSA-N Synonym: dimethyl phthalate,dimethylphthalate,solvanom,solvarone,avolin,fermine,phthalic acid dimethyl ester,mipax,palatinol m,unimoll dm PubChem CID: 8554 ChEBI: CHEBI:4609 IUPAC Name: dimethyl benzene-1,2-dicarboxylate SMILES: COC(=O)C1=CC=CC=C1C(=O)OC

PubChem CID 8554
CAS 131-11-3
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:4609
MDL Number MFCD00008425
SMILES COC(=O)C1=CC=CC=C1C(=O)OC
Synonym dimethyl phthalate,dimethylphthalate,solvanom,solvarone,avolin,fermine,phthalic acid dimethyl ester,mipax,palatinol m,unimoll dm
IUPAC Name dimethyl benzene-1,2-dicarboxylate
InChI Key NIQCNGHVCWTJSM-UHFFFAOYSA-N
Molecular Formula C10H10O4
14

n-Amyl acetate, 99%

CAS: 628-63-7 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00009500 InChI Key: PGMYKACGEOXYJE-UHFFFAOYSA-N Synonym: amyl acetate,n-amyl acetate,acetic acid, pentyl ester,n-pentyl acetate,amyl acetic ester,1-pentyl acetate,n-pentyl ethanoate,birnenoel,pent-acetate,amyl acetic ether PubChem CID: 12348 ChEBI: CHEBI:87362 IUPAC Name: pentyl acetate SMILES: CCCCCOC(=O)C

PubChem CID 12348
CAS 628-63-7
Molecular Weight (g/mol) 130.19
ChEBI CHEBI:87362
MDL Number MFCD00009500
SMILES CCCCCOC(=O)C
Synonym amyl acetate,n-amyl acetate,acetic acid, pentyl ester,n-pentyl acetate,amyl acetic ester,1-pentyl acetate,n-pentyl ethanoate,birnenoel,pent-acetate,amyl acetic ether
IUPAC Name pentyl acetate
InChI Key PGMYKACGEOXYJE-UHFFFAOYSA-N
Molecular Formula C7H14O2
15

Isopropyl acetate, 99%, pure

CAS: 108-21-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00008877 InChI Key: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC Name: propan-2-yl acetate SMILES: CC(C)OC(=O)C

PubChem CID 7915
CAS 108-21-4
Molecular Weight (g/mol) 102.13
MDL Number MFCD00008877
SMILES CC(C)OC(=O)C
Synonym isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester
IUPAC Name propan-2-yl acetate
InChI Key JMMWKPVZQRWMSS-UHFFFAOYSA-N
Molecular Formula C5H10O2