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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 – 15 of 66 results
1
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N-Butyl Acetate, Certified AR for Analysis, Fisher Chemical™

CAS: 123-86-4 MDL Number: 9445

CAS 123-86-4
MDL Number 9445
2
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Propyl gallate, 98%

CAS: 121-79-9 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.2 MDL Number: MFCD00002196 InChI Key: ZTHYODDOHIVTJV-UHFFFAOYSA-N Synonym: propyl gallate,n-propyl gallate,progallin p,tenox pg,nipagallin p,gallic acid, propyl ester,gallic acid propyl ester,nipa 49,benzoic acid, 3,4,5-trihydroxy-, propyl ester,3,4,5-trihydroxybenzene-1-propylcarboxylate PubChem CID: 4947 ChEBI: CHEBI:10607 IUPAC Name: propyl 3,4,5-trihydroxybenzoate SMILES: CCCOC(=O)C1=CC(=C(C(=C1)O)O)O

EDGE
PubChem CID 4947
CAS 121-79-9
Molecular Weight (g/mol) 212.2
ChEBI CHEBI:10607
MDL Number MFCD00002196
SMILES CCCOC(=O)C1=CC(=C(C(=C1)O)O)O
Synonym propyl gallate,n-propyl gallate,progallin p,tenox pg,nipagallin p,gallic acid, propyl ester,gallic acid propyl ester,nipa 49,benzoic acid, 3,4,5-trihydroxy-, propyl ester,3,4,5-trihydroxybenzene-1-propylcarboxylate
IUPAC Name propyl 3,4,5-trihydroxybenzoate
InChI Key ZTHYODDOHIVTJV-UHFFFAOYSA-N
Molecular Formula C10H12O5
3
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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

EDGE
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
4
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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
5
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Propionic acid, 99%, pure

CAS: 79-09-4 InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N Synonym: propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin PubChem CID: 1032 ChEBI: CHEBI:30768 IUPAC Name: propanoic acid SMILES: CCC(=O)O

PubChem CID 1032
CAS 79-09-4
ChEBI CHEBI:30768
SMILES CCC(=O)O
Synonym propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin
IUPAC Name propanoic acid
InChI Key XBDQKXXYIPTUBI-UHFFFAOYSA-N
6
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1-Naphthylacetic acid, 95%

CAS: 86-87-3 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004046 InChI Key: PRPINYUDVPFIRX-UHFFFAOYSA-N Synonym: 1-naphthylacetic acid,1-naphthaleneacetic acid,2-naphthalen-1-yl acetic acid,naphthalene-1-acetic acid,transplantone,phyomone,planofix,1-naphthalene acetic acid,fruitone n,stop-drop PubChem CID: 6862 ChEBI: CHEBI:32918 IUPAC Name: 2-naphthalen-1-ylacetic acid SMILES: OC(=O)CC1=C2C=CC=CC2=CC=C1

PubChem CID 6862
CAS 86-87-3
Molecular Weight (g/mol) 186.21
ChEBI CHEBI:32918
MDL Number MFCD00004046
SMILES OC(=O)CC1=C2C=CC=CC2=CC=C1
Synonym 1-naphthylacetic acid,1-naphthaleneacetic acid,2-naphthalen-1-yl acetic acid,naphthalene-1-acetic acid,transplantone,phyomone,planofix,1-naphthalene acetic acid,fruitone n,stop-drop
IUPAC Name 2-naphthalen-1-ylacetic acid
InChI Key PRPINYUDVPFIRX-UHFFFAOYSA-N
Molecular Formula C12H10O2
7
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tert-Butyl acetate, 99%

CAS: 540-88-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008807 InChI Key: WMOVHXAZOJBABW-UHFFFAOYSA-N Synonym: t-butyl acetate,acetic acid tert-butyl ester,tert-butyl ethanoate,acetic acid, 1,1-dimethylethyl ester,texaco lead appreciator,acetic acid, tert-butyl ester,tert-butylacetate,tert butyl acetate,1,1-dimethylethyl acetate,1,1-dimethyl acetate PubChem CID: 10908 IUPAC Name: tert-butyl acetate SMILES: CC(=O)OC(C)(C)C

PubChem CID 10908
CAS 540-88-5
Molecular Weight (g/mol) 116.16
MDL Number MFCD00008807
SMILES CC(=O)OC(C)(C)C
Synonym t-butyl acetate,acetic acid tert-butyl ester,tert-butyl ethanoate,acetic acid, 1,1-dimethylethyl ester,texaco lead appreciator,acetic acid, tert-butyl ester,tert-butylacetate,tert butyl acetate,1,1-dimethylethyl acetate,1,1-dimethyl acetate
IUPAC Name tert-butyl acetate
InChI Key WMOVHXAZOJBABW-UHFFFAOYSA-N
Molecular Formula C6H12O2
8
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Ethyl propionate, 99+%

CAS: 105-37-3 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00009308 InChI Key: FKRCODPIKNYEAC-UHFFFAOYSA-N Synonym: ethyl propionate,propanoic acid, ethyl ester,propionic ester,propionic ether,propionic acid, ethyl ester,ethylpropionate,propionate d'ethyle,propanoic acid ethyl ester,ethyl n-propionate,propionic acid ethyl ester PubChem CID: 7749 ChEBI: CHEBI:41330 IUPAC Name: ethyl propanoate SMILES: CCC(=O)OCC

PubChem CID 7749
CAS 105-37-3
Molecular Weight (g/mol) 102.13
ChEBI CHEBI:41330
MDL Number MFCD00009308
SMILES CCC(=O)OCC
Synonym ethyl propionate,propanoic acid, ethyl ester,propionic ester,propionic ether,propionic acid, ethyl ester,ethylpropionate,propionate d'ethyle,propanoic acid ethyl ester,ethyl n-propionate,propionic acid ethyl ester
IUPAC Name ethyl propanoate
InChI Key FKRCODPIKNYEAC-UHFFFAOYSA-N
Molecular Formula C5H10O2
9

Cyclohexanecarboxylic acid, 98%

CAS: 98-89-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00001461 InChI Key: NZNMSOFKMUBTKW-UHFFFAOYSA-N Synonym: hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid PubChem CID: 7413 ChEBI: CHEBI:36096 IUPAC Name: cyclohexanecarboxylic acid SMILES: C1CCC(CC1)C(=O)O

PubChem CID 7413
CAS 98-89-5
Molecular Weight (g/mol) 128.17
ChEBI CHEBI:36096
MDL Number MFCD00001461
SMILES C1CCC(CC1)C(=O)O
Synonym hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid
IUPAC Name cyclohexanecarboxylic acid
InChI Key NZNMSOFKMUBTKW-UHFFFAOYSA-N
Molecular Formula C7H12O2
10
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Acetic acid, ammonium salt, 98%, pure

CAS: 631-61-8 Molecular Formula: C2H7NO2 Molecular Weight (g/mol): 77.08 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+]

PubChem CID 517165
CAS 631-61-8
Molecular Weight (g/mol) 77.08
ChEBI CHEBI:62947
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
11

Ethyl 5-methylindole-2-carboxylate, 98%

CAS: 16382-15-3 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00022703 InChI Key: KMVFKXFOPNKHEM-UHFFFAOYSA-N Synonym: ethyl 5-methylindole-2-carboxylate,2-carbethoxy-5-methylindole,5-methylindole-2-carboxylic acid ethyl ester,5-methyl-1h-indole-2-carboxylic acid ethyl ester,pubchem7940,acmc-1brcs,5-methyl-2-ethoxycarbonyl indole,ethyl 5-methyl-2-indolecarboxylate,5-methyl-1h-indole-2-carboxylic acid, ethyl ester PubChem CID: 232919 IUPAC Name: ethyl 5-methyl-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C

PubChem CID 232919
CAS 16382-15-3
Molecular Weight (g/mol) 203.241
MDL Number MFCD00022703
SMILES CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C
Synonym ethyl 5-methylindole-2-carboxylate,2-carbethoxy-5-methylindole,5-methylindole-2-carboxylic acid ethyl ester,5-methyl-1h-indole-2-carboxylic acid ethyl ester,pubchem7940,acmc-1brcs,5-methyl-2-ethoxycarbonyl indole,ethyl 5-methyl-2-indolecarboxylate,5-methyl-1h-indole-2-carboxylic acid, ethyl ester
IUPAC Name ethyl 5-methyl-1H-indole-2-carboxylate
InChI Key KMVFKXFOPNKHEM-UHFFFAOYSA-N
Molecular Formula C12H13NO2
12

Cycloheptylacetic acid, 99%

CAS: 4401-20-1 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.225 MDL Number: MFCD01075701 InChI Key: DQNWKASPZFJVMJ-UHFFFAOYSA-N Synonym: cycloheptylacetic acid,cycloheptaneacetic acid,2-cycloheptylaceticacid,pubchem16200,acmc-20ald3 PubChem CID: 227401 IUPAC Name: 2-cycloheptylacetic acid SMILES: C1CCCC(CC1)CC(=O)O

PubChem CID 227401
CAS 4401-20-1
Molecular Weight (g/mol) 156.225
MDL Number MFCD01075701
SMILES C1CCCC(CC1)CC(=O)O
Synonym cycloheptylacetic acid,cycloheptaneacetic acid,2-cycloheptylaceticacid,pubchem16200,acmc-20ald3
IUPAC Name 2-cycloheptylacetic acid
InChI Key DQNWKASPZFJVMJ-UHFFFAOYSA-N
Molecular Formula C9H16O2
13

Ethyl Caprylate, 99+%

CAS: 106-32-1 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00009552 InChI Key: YYZUSRORWSJGET-UHFFFAOYSA-N Synonym: ethyl caprylate,octanoic acid, ethyl ester,ethyl n-octanoate,caprylic acid ethyl ester,ethyl octoate,ethyl octylate,octanoic acid ethyl ester,natural,unii-81c5mop582,fema no. 2449 PubChem CID: 7799 ChEBI: CHEBI:87426 IUPAC Name: ethyl octanoate SMILES: CCCCCCCC(=O)OCC

PubChem CID 7799
CAS 106-32-1
Molecular Weight (g/mol) 172.27
ChEBI CHEBI:87426
MDL Number MFCD00009552
SMILES CCCCCCCC(=O)OCC
Synonym ethyl caprylate,octanoic acid, ethyl ester,ethyl n-octanoate,caprylic acid ethyl ester,ethyl octoate,ethyl octylate,octanoic acid ethyl ester,natural,unii-81c5mop582,fema no. 2449
IUPAC Name ethyl octanoate
InChI Key YYZUSRORWSJGET-UHFFFAOYSA-N
Molecular Formula C10H20O2
14

n-Butyl levulinate, 98%

CAS: 2052-15-5 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00009449 InChI Key: ISBWNEKJSSLXOD-UHFFFAOYSA-N Synonym: butyl levulinate,n-butyl levulinate,butyl laevulinate,pentanoic acid, 4-oxo-, butyl ester,n-butyl laevulinate,levulinic acid, butyl ester,butyl 4-ketovalerate,4-ketopentanoic acid butyl ester,butyl acetylpropionate,n-butyl 4-oxopentanoate PubChem CID: 16331 IUPAC Name: butyl 4-oxopentanoate SMILES: CCCCOC(=O)CCC(=O)C

PubChem CID 16331
CAS 2052-15-5
Molecular Weight (g/mol) 172.224
MDL Number MFCD00009449
SMILES CCCCOC(=O)CCC(=O)C
Synonym butyl levulinate,n-butyl levulinate,butyl laevulinate,pentanoic acid, 4-oxo-, butyl ester,n-butyl laevulinate,levulinic acid, butyl ester,butyl 4-ketovalerate,4-ketopentanoic acid butyl ester,butyl acetylpropionate,n-butyl 4-oxopentanoate
IUPAC Name butyl 4-oxopentanoate
InChI Key ISBWNEKJSSLXOD-UHFFFAOYSA-N
Molecular Formula C9H16O3
15

3-(3,5-Dibromophenyl)propionic acid, 97%

CAS: 923977-15-5 Molecular Formula: C9H8Br2O2 Molecular Weight (g/mol): 307.969 MDL Number: MFCD11973898 InChI Key: AMKWPMUHANVQSZ-UHFFFAOYSA-N Synonym: 3-3,5-dibromophenyl propanoic acid,3-3,5-dibromophenyl propionic acid,3,5-dibromobenzenepropanoic acid,3-3,5-dibromo-phenyl-propionic acid PubChem CID: 16038256 IUPAC Name: 3-(3,5-dibromophenyl)propanoic acid SMILES: C1=C(C=C(C=C1Br)Br)CCC(=O)O

PubChem CID 16038256
CAS 923977-15-5
Molecular Weight (g/mol) 307.969
MDL Number MFCD11973898
SMILES C1=C(C=C(C=C1Br)Br)CCC(=O)O
Synonym 3-3,5-dibromophenyl propanoic acid,3-3,5-dibromophenyl propionic acid,3,5-dibromobenzenepropanoic acid,3-3,5-dibromo-phenyl-propionic acid
IUPAC Name 3-(3,5-dibromophenyl)propanoic acid
InChI Key AMKWPMUHANVQSZ-UHFFFAOYSA-N
Molecular Formula C9H8Br2O2