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Monocarboxylic acids and derivatives

Organic compounds that contain one carboxyl group; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from monocarboxylic acids.

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1

(S)-(+)-2-Methylbutyric acid, 98%

CAS: 1730-91-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00063166 InChI Key: WLAMNBDJUVNPJU-BYPYZUCNSA-N Synonym: s-+-2-methylbutyric acid,s-2-methylbutanoic acid,s-2-methylbutyric acid,2s-2-methylbutanoic acid,2-methylbutyric acid, s,s-+-2-methylbutanoic acid,smb,s-2-methylbutanoate,butanoic acid, 2-methyl-, s,+-2-methylbutanoic acid PubChem CID: 448893 ChEBI: CHEBI:38655 IUPAC Name: (2S)-2-methylbutanoic acid SMILES: CCC(C)C(=O)O

PubChem CID 448893
CAS 1730-91-2
Molecular Weight (g/mol) 102.13
ChEBI CHEBI:38655
MDL Number MFCD00063166
SMILES CCC(C)C(=O)O
Synonym s-+-2-methylbutyric acid,s-2-methylbutanoic acid,s-2-methylbutyric acid,2s-2-methylbutanoic acid,2-methylbutyric acid, s,s-+-2-methylbutanoic acid,smb,s-2-methylbutanoate,butanoic acid, 2-methyl-, s,+-2-methylbutanoic acid
IUPAC Name (2S)-2-methylbutanoic acid
InChI Key WLAMNBDJUVNPJU-BYPYZUCNSA-N
Molecular Formula C5H10O2
2

L-Lactic acid, anhydrous, 98%

CAS: 79-33-4 Molecular Formula: C3H6O3 Molecular Weight (g/mol): 90.078 MDL Number: MFCD00064266 InChI Key: JVTAAEKCZFNVCJ-REOHCLBHSA-N Synonym: l-lactic acid,l-+-lactic acid,s-2-hydroxypropanoic acid,s-lactic acid,sarcolactic acid,s-2-hydroxypropionic acid,2s-2-hydroxypropanoic acid,+-lactic acid,espiritin,tisulac PubChem CID: 107689 ChEBI: CHEBI:422 IUPAC Name: (2S)-2-hydroxypropanoic acid SMILES: CC(C(=O)O)O

EDGE
PubChem CID 107689
CAS 79-33-4
Molecular Weight (g/mol) 90.078
ChEBI CHEBI:422
MDL Number MFCD00064266
SMILES CC(C(=O)O)O
Synonym l-lactic acid,l-+-lactic acid,s-2-hydroxypropanoic acid,s-lactic acid,sarcolactic acid,s-2-hydroxypropionic acid,2s-2-hydroxypropanoic acid,+-lactic acid,espiritin,tisulac
IUPAC Name (2S)-2-hydroxypropanoic acid
InChI Key JVTAAEKCZFNVCJ-REOHCLBHSA-N
Molecular Formula C3H6O3
3
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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

EDGE
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
4

Benzyl L-lactate, 97%

CAS: 56777-24-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00209546 InChI Key: ZYTLPUIDJRKAAM-QMMMGPOBSA-N Synonym: benzyl s---lactate,benzyl l-lactate,benzyl s-lactate,s---lactic acid benzyl ester,benzyl 2s-2-hydroxypropanoate,benzyl-l-lactate,s-benzyllactate,s-benzyl lactate,s-lactic acid benzyl ester,2s-lactic acid benzyl ester PubChem CID: 11052238 IUPAC Name: benzyl (2S)-2-hydroxypropanoate SMILES: CC(C(=O)OCC1=CC=CC=C1)O

PubChem CID 11052238
CAS 56777-24-3
Molecular Weight (g/mol) 180.203
MDL Number MFCD00209546
SMILES CC(C(=O)OCC1=CC=CC=C1)O
Synonym benzyl s---lactate,benzyl l-lactate,benzyl s-lactate,s---lactic acid benzyl ester,benzyl 2s-2-hydroxypropanoate,benzyl-l-lactate,s-benzyllactate,s-benzyl lactate,s-lactic acid benzyl ester,2s-lactic acid benzyl ester
IUPAC Name benzyl (2S)-2-hydroxypropanoate
InChI Key ZYTLPUIDJRKAAM-QMMMGPOBSA-N
Molecular Formula C10H12O3
5

Ethyl L-lactate, 99%

CAS: 687-47-8 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00065359 InChI Key: LZCLXQDLBQLTDK-BYPYZUCNSA-N Synonym: ethyl l-lactate,ethyl 2s-2-hydroxypropanoate,l-ethyl lactate,l---ethyl lactate,ethyl l--lactate,ethyl s-2-hydroxypropionate,ethyl l---lactate,s-ethyl lactate,propanoic acid, 2-hydroxy-, ethyl ester, 2s PubChem CID: 92831 ChEBI: CHEBI:78322 IUPAC Name: ethyl (2S)-2-hydroxypropanoate SMILES: CCOC(=O)C(C)O

PubChem CID 92831
CAS 687-47-8
Molecular Weight (g/mol) 118.132
ChEBI CHEBI:78322
MDL Number MFCD00065359
SMILES CCOC(=O)C(C)O
Synonym ethyl l-lactate,ethyl 2s-2-hydroxypropanoate,l-ethyl lactate,l---ethyl lactate,ethyl l--lactate,ethyl s-2-hydroxypropionate,ethyl l---lactate,s-ethyl lactate,propanoic acid, 2-hydroxy-, ethyl ester, 2s
IUPAC Name ethyl (2S)-2-hydroxypropanoate
InChI Key LZCLXQDLBQLTDK-BYPYZUCNSA-N
Molecular Formula C5H10O3
6
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Ethyl L(-)-lactate, 97%

CAS: 687-47-8 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.13 MDL Number: MFCD00004518 InChI Key: LZCLXQDLBQLTDK-BYPYZUCNSA-N Synonym: ethyl l-lactate,ethyl 2s-2-hydroxypropanoate,l-ethyl lactate,l---ethyl lactate,ethyl l--lactate,ethyl s-2-hydroxypropionate,ethyl l---lactate,s-ethyl lactate,propanoic acid, 2-hydroxy-, ethyl ester, 2s PubChem CID: 92831 ChEBI: CHEBI:78322 IUPAC Name: ethyl (2S)-2-hydroxypropanoate SMILES: CCOC(=O)C(C)O

PubChem CID 92831
CAS 687-47-8
Molecular Weight (g/mol) 118.13
ChEBI CHEBI:78322
MDL Number MFCD00004518
SMILES CCOC(=O)C(C)O
Synonym ethyl l-lactate,ethyl 2s-2-hydroxypropanoate,l-ethyl lactate,l---ethyl lactate,ethyl l--lactate,ethyl s-2-hydroxypropionate,ethyl l---lactate,s-ethyl lactate,propanoic acid, 2-hydroxy-, ethyl ester, 2s
IUPAC Name ethyl (2S)-2-hydroxypropanoate
InChI Key LZCLXQDLBQLTDK-BYPYZUCNSA-N
Molecular Formula C5H10O3
7

n-Butyl L-lactate, 97+%

CAS: 34451-19-9 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.19 MDL Number: MFCD00004519,MFCD00066454 InChI Key: MRABAEUHTLLEML-UHFFFAOYNA-N PubChem CID: 6999977 IUPAC Name: butyl (2S)-2-hydroxypropanoate SMILES: CCCCOC(=O)C(C)O

PubChem CID 6999977
CAS 34451-19-9
Molecular Weight (g/mol) 146.19
MDL Number MFCD00004519,MFCD00066454
SMILES CCCCOC(=O)C(C)O
IUPAC Name butyl (2S)-2-hydroxypropanoate
InChI Key MRABAEUHTLLEML-UHFFFAOYNA-N
Molecular Formula C7H14O3
9

3-(Methylthio)propionic acid, 98%

CAS: 646-01-5 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00059635 InChI Key: CAOMCZAIALVUPA-UHFFFAOYSA-N Synonym: 3-methylthio propionic acid,3-methylthiopropionate,3-methylthiopropionic acid,4-thiapentanoic acid,3-methylsulfanyl propanoic acid,propanoic acid, 3-methylthio,3-methylmercaptopropionic acid,unii-f523ali47d,3-methylthio propanoic acid,propionic acid, 3-methylthio PubChem CID: 563 ChEBI: CHEBI:1438 IUPAC Name: 3-methylsulfanylpropanoic acid SMILES: CSCCC(=O)O

PubChem CID 563
CAS 646-01-5
Molecular Weight (g/mol) 120.166
ChEBI CHEBI:1438
MDL Number MFCD00059635
SMILES CSCCC(=O)O
Synonym 3-methylthio propionic acid,3-methylthiopropionate,3-methylthiopropionic acid,4-thiapentanoic acid,3-methylsulfanyl propanoic acid,propanoic acid, 3-methylthio,3-methylmercaptopropionic acid,unii-f523ali47d,3-methylthio propanoic acid,propionic acid, 3-methylthio
IUPAC Name 3-methylsulfanylpropanoic acid
InChI Key CAOMCZAIALVUPA-UHFFFAOYSA-N
Molecular Formula C4H8O2S
10

Ethyl 3-mercaptopropionate, 98%

CAS: 5466-06-8 IUPAC Name: ethyl 3-sulfanylpropanoate

CAS 5466-06-8
IUPAC Name ethyl 3-sulfanylpropanoate
11

3-Mercaptopropionic acid, 98%

CAS: 107-96-0 Molecular Formula: C3H6O2S Molecular Weight (g/mol): 106.14 MDL Number: MFCD00004897 InChI Key: DKIDEFUBRARXTE-UHFFFAOYSA-N Synonym: 3-mercaptopropionic acid,3-mercaptopropanoic acid,3-thiopropionic acid,3-thiopropanoic acid,propanoic acid, 3-mercapto,beta-mercaptopropionic acid,3mpa,mercaptopropionic acid,beta-thiopropionic acid,2-mercaptoethanecarboxylic acid PubChem CID: 6514 ChEBI: CHEBI:44111 IUPAC Name: 3-sulfanylpropanoic acid SMILES: C(CS)C(=O)O

PubChem CID 6514
CAS 107-96-0
Molecular Weight (g/mol) 106.14
ChEBI CHEBI:44111
MDL Number MFCD00004897
SMILES C(CS)C(=O)O
Synonym 3-mercaptopropionic acid,3-mercaptopropanoic acid,3-thiopropionic acid,3-thiopropanoic acid,propanoic acid, 3-mercapto,beta-mercaptopropionic acid,3mpa,mercaptopropionic acid,beta-thiopropionic acid,2-mercaptoethanecarboxylic acid
IUPAC Name 3-sulfanylpropanoic acid
InChI Key DKIDEFUBRARXTE-UHFFFAOYSA-N
Molecular Formula C3H6O2S
12
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Ethyl 2-mercaptoacetate, 99%

CAS: 623-51-8 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.17 MDL Number: MFCD00004874 InChI Key: PVBRSNZAOAJRKO-UHFFFAOYSA-N Synonym: ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester PubChem CID: 12185 IUPAC Name: ethyl 2-sulfanylacetate SMILES: CCOC(=O)CS

PubChem CID 12185
CAS 623-51-8
Molecular Weight (g/mol) 120.17
MDL Number MFCD00004874
SMILES CCOC(=O)CS
Synonym ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester
IUPAC Name ethyl 2-sulfanylacetate
InChI Key PVBRSNZAOAJRKO-UHFFFAOYSA-N
Molecular Formula C4H8O2S
13

Ethyl phenylcyanoacetate, 97%

CAS: 4553-07-5 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00001866 InChI Key: SXIRJEDGTAKGKU-UHFFFAOYNA-N SMILES: CCOC(=O)C(C#N)C1=CC=CC=C1

CAS 4553-07-5
Molecular Weight (g/mol) 189.21
MDL Number MFCD00001866
SMILES CCOC(=O)C(C#N)C1=CC=CC=C1
InChI Key SXIRJEDGTAKGKU-UHFFFAOYNA-N
Molecular Formula C11H11NO2
15

trans-4-n-Propylcyclohexyl trans,trans-4'-n-propylbicyclohexyl-4-carboxylate, 97%, Thermo Scientific™

CAS: 83242-83-5 Molecular Formula: C25H44O2 Molecular Weight (g/mol): 376.625 MDL Number: MFCD20527218 InChI Key: ITVBZSWXRMMPFS-UHFFFAOYSA-N Synonym: 4-propylcyclohexyl 4-4-propylcyclohexyl cyclohexane-1-carboxylate,4-propylcyclohexyl trans trans trans-4'-propyl 1,1'-bicyclohexyl-4-carboxylate,trans-4-propylcyclohexyl trans,trans-4'-propylbicyclohexyl-4-carboxylate,trans,trans-trans-4-propylcyclohexyl 4'-propyl-1,1'-bi cyclohexane-4-carboxylate,4-propylcyclohexyl trans trans trans-4-propyl 1,1-bicyclohexyl-4-carboxylate,trans,trans-4'-propylbicyclohexyl-4-carboxylic acid trans-4-propylcyclohexyl ester,trans-4-n-propylcyclohexyl trans,trans-4'-n-propylbicyclohexyl-4-carboxylate,1s,4r-4-propylcyclohexyl 1r,1's,4r,4'r-4'-propyl-1,1'-bi cyclohexane-4-carboxylate,1,1'-bicyclohexyl-4-carboxylic acid, 4'-propyl-, 4-propylcyclohexyl ester, trans trans trans,1,1'-bicyclohexyl-4-carboxylicacid, 4'-propyl-, trans-4-propylcyclohexyl ester, trans,trans PubChem CID: 550127 IUPAC Name: (4-propylcyclohexyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate SMILES: CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3CCC(CC3)CCC

PubChem CID 550127
CAS 83242-83-5
Molecular Weight (g/mol) 376.625
MDL Number MFCD20527218
SMILES CCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3CCC(CC3)CCC
Synonym 4-propylcyclohexyl 4-4-propylcyclohexyl cyclohexane-1-carboxylate,4-propylcyclohexyl trans trans trans-4'-propyl 1,1'-bicyclohexyl-4-carboxylate,trans-4-propylcyclohexyl trans,trans-4'-propylbicyclohexyl-4-carboxylate,trans,trans-trans-4-propylcyclohexyl 4'-propyl-1,1'-bi cyclohexane-4-carboxylate,4-propylcyclohexyl trans trans trans-4-propyl 1,1-bicyclohexyl-4-carboxylate,trans,trans-4'-propylbicyclohexyl-4-carboxylic acid trans-4-propylcyclohexyl ester,trans-4-n-propylcyclohexyl trans,trans-4'-n-propylbicyclohexyl-4-carboxylate,1s,4r-4-propylcyclohexyl 1r,1's,4r,4'r-4'-propyl-1,1'-bi cyclohexane-4-carboxylate,1,1'-bicyclohexyl-4-carboxylic acid, 4'-propyl-, 4-propylcyclohexyl ester, trans trans trans,1,1'-bicyclohexyl-4-carboxylicacid, 4'-propyl-, trans-4-propylcyclohexyl ester, trans,trans
IUPAC Name (4-propylcyclohexyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
InChI Key ITVBZSWXRMMPFS-UHFFFAOYSA-N
Molecular Formula C25H44O2