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.

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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

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Specifications

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

Oleamide

CAS: 301-02-0 Molecular Formula: C18H35NO Molecular Weight (g/mol): 281.48 InChI Key: FATBGEAMYMYZAF-MDZDMXLPSA-N IUPAC Name: (9E)-octadec-9-enamide SMILES: CCCCCCCC\C=C\CCCCCCCC(N)=O

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Specifications

CAS	301-02-0
Molecular Weight (g/mol)	281.48
SMILES	CCCCCCCC\C=C\CCCCCCCC(N)=O
IUPAC Name	(9E)-octadec-9-enamide
InChI Key	FATBGEAMYMYZAF-MDZDMXLPSA-N
Molecular Formula	C18H35NO

Citric acid monohydrate, 99+%, ACS reagent

CAS: 5949-29-1 Molecular Formula: C₆H₈O₇·H₂O Molecular Weight (g/mol): 210.15 InChI Key: YASYEJJMZJALEJ-UHFFFAOYSA-N Synonym: citric acid monohydrate,citric acid hydrate,2-hydroxypropane-1,2,3-tricarboxylic acid hydrate,citric acid, monohydrate,unii-2968phw8qp,1,2,3-propanetricarboxylic acid, 2-hydroxy-, monohydrate,citrate,acidum citricum monohydricum,citric acid monohydrate usp PubChem CID: 22230 ChEBI: CHEBI:31404 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

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PubChem CID	22230
CAS	5949-29-1
Molecular Weight (g/mol)	210.15
ChEBI	CHEBI:31404
SMILES	C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O
Synonym	citric acid monohydrate,citric acid hydrate,2-hydroxypropane-1,2,3-tricarboxylic acid hydrate,citric acid, monohydrate,unii-2968phw8qp,1,2,3-propanetricarboxylic acid, 2-hydroxy-, monohydrate,citrate,acidum citricum monohydricum,citric acid monohydrate usp
IUPAC Name	2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
InChI Key	YASYEJJMZJALEJ-UHFFFAOYSA-N
Molecular Formula	C₆H₈O₇·H₂O

Sodium DL-lactate, 60% w/w aq. soln.

CAS: 72-17-3 Molecular Formula: C3H5NaO3 Molecular Weight (g/mol): 112.06 MDL Number: MFCD00065400 InChI Key: NGSFWBMYFKHRBD-UHFFFAOYSA-M Synonym: sodium lactate,lactic acid sodium salt,monosodium lactate,sodium dl-lactate,lacolin,per-glycerin,lactic acid, monosodium salt,sodium alpha-hydroxypropionate,monosodium 2-hydroxypropanoate,propanoic acid, 2-hydroxy-, monosodium salt PubChem CID: 23666456 ChEBI: CHEBI:75228 IUPAC Name: sodium;2-hydroxypropanoate SMILES: CC(C(=O)[O-])O.[Na+]

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Specifications

PubChem CID	23666456
CAS	72-17-3
Molecular Weight (g/mol)	112.06
ChEBI	CHEBI:75228
MDL Number	MFCD00065400
SMILES	CC(C(=O)[O-])O.[Na+]
Synonym	sodium lactate,lactic acid sodium salt,monosodium lactate,sodium dl-lactate,lacolin,per-glycerin,lactic acid, monosodium salt,sodium alpha-hydroxypropionate,monosodium 2-hydroxypropanoate,propanoic acid, 2-hydroxy-, monosodium salt
IUPAC Name	sodium;2-hydroxypropanoate
InChI Key	NGSFWBMYFKHRBD-UHFFFAOYSA-M
Molecular Formula	C3H5NaO3

Ethylene dimethacrylate, 98%, stabilized

CAS: 97-90-5 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00008590 InChI Key: STVZJERGLQHEKB-UHFFFAOYSA-N Synonym: ethylene glycol dimethacrylate,ethylene dimethacrylate,glycol dimethacrylate,diglycol dimethacrylate,ethanediol dimethacrylate,ethylenedimethyacrylate,ethylene methacrylate,ethyldiol metacrylate,1,2-bis methacryloyloxy ethane,ethylene glycol bis methacrylate PubChem CID: 7355 ChEBI: CHEBI:53436 SMILES: CC(=C)C(=O)OCCOC(=O)C(C)=C

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PubChem CID	7355
CAS	97-90-5
Molecular Weight (g/mol)	198.22
ChEBI	CHEBI:53436
MDL Number	MFCD00008590
SMILES	CC(=C)C(=O)OCCOC(=O)C(C)=C
Synonym	ethylene glycol dimethacrylate,ethylene dimethacrylate,glycol dimethacrylate,diglycol dimethacrylate,ethanediol dimethacrylate,ethylenedimethyacrylate,ethylene methacrylate,ethyldiol metacrylate,1,2-bis methacryloyloxy ethane,ethylene glycol bis methacrylate
InChI Key	STVZJERGLQHEKB-UHFFFAOYSA-N
Molecular Formula	C10H14O4

Trimethylacetic acid, 99%

CAS: 75-98-9 Molecular Formula: C₅H₁₀O₂ Molecular Weight (g/mol): 102.13 MDL Number: MFCD00004194 InChI Key: IUGYQRQAERSCNH-UHFFFAOYSA-N Synonym: pivalic acid,trimethylacetic acid,neopentanoic acid,2,2-dimethylpropionic acid,tert-pentanoic acid,propanoic acid, 2,2-dimethyl,versatic 5,kyselina pivalova,acetic acid, trimethyl,alpha,alpha-dimethylpropionic acid PubChem CID: 6417 ChEBI: CHEBI:45133 IUPAC Name: 2,2-dimethylpropanoic acid SMILES: CC(C)(C)C(=O)O

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PubChem CID	6417
CAS	75-98-9
Molecular Weight (g/mol)	102.13
ChEBI	CHEBI:45133
MDL Number	MFCD00004194
SMILES	CC(C)(C)C(=O)O
Synonym	pivalic acid,trimethylacetic acid,neopentanoic acid,2,2-dimethylpropionic acid,tert-pentanoic acid,propanoic acid, 2,2-dimethyl,versatic 5,kyselina pivalova,acetic acid, trimethyl,alpha,alpha-dimethylpropionic acid
IUPAC Name	2,2-dimethylpropanoic acid
InChI Key	IUGYQRQAERSCNH-UHFFFAOYSA-N
Molecular Formula	C₅H₁₀O₂

Ammonium acetate, 97%

CAS: 631-61-8 Molecular Formula: C2H7NO2 Molecular Weight (g/mol): 77.083 MDL Number: MFCD00013066 InChI Key: USFZMSVCRYTOJT-UHFFFAOYSA-N Synonym: ammonium acetate,acetic acid, ammonium salt,azanium acetate,ammoniumacetate,acetic acid ammonium salt,ammonium ethanoate,unii-rre756s6q2,aconh4,ch3coonh4,ch3co2nh4 PubChem CID: 517165 ChEBI: CHEBI:62947 IUPAC Name: azanium;acetate SMILES: CC(=O)[O-].[NH4+]

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Specifications

PubChem CID	517165
CAS	631-61-8
Molecular Weight (g/mol)	77.083
ChEBI	CHEBI:62947
MDL Number	MFCD00013066
SMILES	CC(=O)[O-].[NH4+]
Synonym	ammonium acetate,acetic acid, ammonium salt,azanium acetate,ammoniumacetate,acetic acid ammonium salt,ammonium ethanoate,unii-rre756s6q2,aconh4,ch3coonh4,ch3co2nh4
IUPAC Name	azanium;acetate
InChI Key	USFZMSVCRYTOJT-UHFFFAOYSA-N
Molecular Formula	C2H7NO2

Levulinic Acid, 98+%

CAS: 123-76-2 Molecular Formula: C₅H₈O₃ Molecular Weight (g/mol): 116.12 MDL Number: MFCD00002796 InChI Key: JOOXCMJARBKPKM-UHFFFAOYSA-N Synonym: levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid PubChem CID: 11579 ChEBI: CHEBI:45630 IUPAC Name: 4-oxopentanoic acid SMILES: CC(=O)CCC(=O)O

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Specifications

PubChem CID	11579
CAS	123-76-2
Molecular Weight (g/mol)	116.12
ChEBI	CHEBI:45630
MDL Number	MFCD00002796
SMILES	CC(=O)CCC(=O)O
Synonym	levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid
IUPAC Name	4-oxopentanoic acid
InChI Key	JOOXCMJARBKPKM-UHFFFAOYSA-N
Molecular Formula	C₅H₈O₃

Diethylenetriaminepentaacetic acid, 98+%

CAS: 67-43-6 Molecular Formula: C₁₄H₂₃N₃O₁₀ Molecular Weight (g/mol): 393.34 InChI Key: QPCDCPDFJACHGM-UHFFFAOYSA-N Synonym: pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid PubChem CID: 3053 ChEBI: CHEBI:35739 IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

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Specifications

PubChem CID	3053
CAS	67-43-6
Molecular Weight (g/mol)	393.34
ChEBI	CHEBI:35739
SMILES	C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
Synonym	pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid
IUPAC Name	2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
InChI Key	QPCDCPDFJACHGM-UHFFFAOYSA-N
Molecular Formula	C₁₄H₂₃N₃O₁₀

Dimethyl oxalate, 99%

CAS: 553-90-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00008442 InChI Key: LOMVENUNSWAXEN-UHFFFAOYSA-N Synonym: methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid PubChem CID: 11120 ChEBI: CHEBI:6859 IUPAC Name: dimethyl oxalate SMILES: COC(=O)C(=O)OC

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Specifications

PubChem CID	11120
CAS	553-90-2
Molecular Weight (g/mol)	118.09
ChEBI	CHEBI:6859
MDL Number	MFCD00008442
SMILES	COC(=O)C(=O)OC
Synonym	methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid
IUPAC Name	dimethyl oxalate
InChI Key	LOMVENUNSWAXEN-UHFFFAOYSA-N
Molecular Formula	C4H6O4

2-Aminoethyl methacrylate hydrochloride, 90%, stabilized

CAS: 2420-94-2 Molecular Formula: C₆H₁₁NO₂·HCl Molecular Weight (g/mol): 165.62 MDL Number: MFCD00078260 InChI Key: XSHISXQEKIKSGC-UHFFFAOYSA-N Synonym: 2-aminoethyl methacrylate hydrochloride,2-aminoethylmethacrylate hydrochloride,2-aminoethyl 2-methylacrylate hydrochloride,methacrylic acid, 2-aminoethyl ester, hydrochloride, polymers,2-aminoethyl 2-methylprop-2-enoate hydrochloride,2-propenoic acid, 2-methyl-, 2-aminoethyl ester, hydrochloride 1:1,2-propenoic acid, 2-methyl-, 2-aminoethyl ester, hydrochloride,aminoethylmethacrylate,acmc-209wgm,timtec-bb sbb003905 PubChem CID: 75495 IUPAC Name: 2-aminoethyl 2-methylprop-2-enoate;hydrochloride SMILES: CC(=C)C(=O)OCCN.Cl

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Specifications

PubChem CID	75495
CAS	2420-94-2
Molecular Weight (g/mol)	165.62
MDL Number	MFCD00078260
SMILES	CC(=C)C(=O)OCCN.Cl
Synonym	2-aminoethyl methacrylate hydrochloride,2-aminoethylmethacrylate hydrochloride,2-aminoethyl 2-methylacrylate hydrochloride,methacrylic acid, 2-aminoethyl ester, hydrochloride, polymers,2-aminoethyl 2-methylprop-2-enoate hydrochloride,2-propenoic acid, 2-methyl-, 2-aminoethyl ester, hydrochloride 1:1,2-propenoic acid, 2-methyl-, 2-aminoethyl ester, hydrochloride,aminoethylmethacrylate,acmc-209wgm,timtec-bb sbb003905
IUPAC Name	2-aminoethyl 2-methylprop-2-enoate;hydrochloride
InChI Key	XSHISXQEKIKSGC-UHFFFAOYSA-N
Molecular Formula	C₆H₁₁NO₂·HCl

Pyruvic acid, sodium salt, 99+%

CAS: 113-24-6 Molecular Formula: C₃H₃NaO₃ Molecular Weight (g/mol): 110.04 MDL Number: MFCD00002586 InChI Key: DAEPDZWVDSPTHF-UHFFFAOYSA-M Synonym: sodium pyruvate,pyruvic acid sodium salt,sodium 2-oxopropanoate,pyruvic acid, sodium salt,propanoic acid, 2-oxo-, sodium salt,sodium alpha-ketopropionate,pyruvate sodium,unii-pod38aif08,2-oxopropanoic acid sodium salt,pod38aif08 PubChem CID: 23662274 ChEBI: CHEBI:50144 IUPAC Name: sodium;2-oxopropanoate SMILES: CC(=O)C(=O)[O-].[Na+]

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Specifications

PubChem CID	23662274
CAS	113-24-6
Molecular Weight (g/mol)	110.04
ChEBI	CHEBI:50144
MDL Number	MFCD00002586
SMILES	CC(=O)C(=O)[O-].[Na+]
Synonym	sodium pyruvate,pyruvic acid sodium salt,sodium 2-oxopropanoate,pyruvic acid, sodium salt,propanoic acid, 2-oxo-, sodium salt,sodium alpha-ketopropionate,pyruvate sodium,unii-pod38aif08,2-oxopropanoic acid sodium salt,pod38aif08
IUPAC Name	sodium;2-oxopropanoate
InChI Key	DAEPDZWVDSPTHF-UHFFFAOYSA-M
Molecular Formula	C₃H₃NaO₃

Calcium propionate, 98+%

CAS: 4075-81-4 Molecular Formula: C6H10CaO4 Molecular Weight (g/mol): 186.22 MDL Number: MFCD00167354 InChI Key: BCZXFFBUYPCTSJ-UHFFFAOYSA-L Synonym: calcium propionate,calcium dipropionate,calcium propanoate,mycoban,propanoic acid, calcium salt,bioban-c,caswell no. 151,propionic acid, calcium salt,unii-8ai80040kw,hsdb 907 PubChem CID: 19999 ChEBI: CHEBI:81716 IUPAC Name: calcium;propanoate SMILES: [Ca++].CCC([O-])=O.CCC([O-])=O

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Specifications

PubChem CID	19999
CAS	4075-81-4
Molecular Weight (g/mol)	186.22
ChEBI	CHEBI:81716
MDL Number	MFCD00167354
SMILES	[Ca++].CCC([O-])=O.CCC([O-])=O
Synonym	calcium propionate,calcium dipropionate,calcium propanoate,mycoban,propanoic acid, calcium salt,bioban-c,caswell no. 151,propionic acid, calcium salt,unii-8ai80040kw,hsdb 907
IUPAC Name	calcium;propanoate
InChI Key	BCZXFFBUYPCTSJ-UHFFFAOYSA-L
Molecular Formula	C6H10CaO4

Benzamide, 99%

CAS: 55-21-0 Molecular Formula: C₇H₇NO Molecular Weight (g/mol): 121.14 MDL Number: MFCD00007968 InChI Key: KXDAEFPNCMNJSK-UHFFFAOYSA-N Synonym: benzoic acid amide,benzoylamide,phenylcarboxyamide,phenylcarboxamide,benzenecarboxamide,amid kyseliny benzoove,amid kyseliny benzoove czech,phenyl carboxyamide,ccris 4594,benzoic acid,amide PubChem CID: 2331 ChEBI: CHEBI:28179 IUPAC Name: benzamide SMILES: C1=CC=C(C=C1)C(=O)N

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Specifications

PubChem CID	2331
CAS	55-21-0
Molecular Weight (g/mol)	121.14
ChEBI	CHEBI:28179
MDL Number	MFCD00007968
SMILES	C1=CC=C(C=C1)C(=O)N
Synonym	benzoic acid amide,benzoylamide,phenylcarboxyamide,phenylcarboxamide,benzenecarboxamide,amid kyseliny benzoove,amid kyseliny benzoove czech,phenyl carboxyamide,ccris 4594,benzoic acid,amide
IUPAC Name	benzamide
InChI Key	KXDAEFPNCMNJSK-UHFFFAOYSA-N
Molecular Formula	C₇H₇NO

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

Pricing and Availability
Specifications

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

Carboxylic acids and derivatives

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