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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 33 results
1

2-Phenylethyl acetate, 98%

CAS: 103-45-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008720 InChI Key: MDHYEMXUFSJLGV-UHFFFAOYSA-N Synonym: phenethyl acetate,2-phenethyl acetate,acetic acid, 2-phenylethyl ester,benzylcarbinyl acetate,beta-phenylethyl acetate,acetic acid, phenethyl ester,phenethyl alcohol, acetate,phenylethyl acetate,acetic acid phenethyl ester,ethanol, 2-phenyl-, acetate PubChem CID: 7654 ChEBI: CHEBI:31988 IUPAC Name: 2-phenylethyl acetate SMILES: CC(=O)OCCC1=CC=CC=C1

EDGE
PubChem CID 7654
CAS 103-45-7
Molecular Weight (g/mol) 164.20
ChEBI CHEBI:31988
MDL Number MFCD00008720
SMILES CC(=O)OCCC1=CC=CC=C1
Synonym phenethyl acetate,2-phenethyl acetate,acetic acid, 2-phenylethyl ester,benzylcarbinyl acetate,beta-phenylethyl acetate,acetic acid, phenethyl ester,phenethyl alcohol, acetate,phenylethyl acetate,acetic acid phenethyl ester,ethanol, 2-phenyl-, acetate
IUPAC Name 2-phenylethyl acetate
InChI Key MDHYEMXUFSJLGV-UHFFFAOYSA-N
Molecular Formula C10H12O2
2

Ethyl palmitate, 97%

CAS: 628-97-7 Molecular Formula: C18H36O2 Molecular Weight (g/mol): 284.48 MDL Number: MFCD00008996 InChI Key: XIRNKXNNONJFQO-UHFFFAOYSA-N Synonym: ethyl palmitate,hexadecanoic acid, ethyl ester,palmitic acid ethyl ester,ethyl cetylate,palmitic acid, ethyl ester,ethylpalmitate,unii-ird3m534zm,hexadecanoic acid ethyl ester,ethyl n-hexadecanoate,ird3m534zm PubChem CID: 12366 ChEBI: CHEBI:84932 IUPAC Name: ethyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC

EDGE
PubChem CID 12366
CAS 628-97-7
Molecular Weight (g/mol) 284.48
ChEBI CHEBI:84932
MDL Number MFCD00008996
SMILES CCCCCCCCCCCCCCCC(=O)OCC
Synonym ethyl palmitate,hexadecanoic acid, ethyl ester,palmitic acid ethyl ester,ethyl cetylate,palmitic acid, ethyl ester,ethylpalmitate,unii-ird3m534zm,hexadecanoic acid ethyl ester,ethyl n-hexadecanoate,ird3m534zm
IUPAC Name ethyl hexadecanoate
InChI Key XIRNKXNNONJFQO-UHFFFAOYSA-N
Molecular Formula C18H36O2
3

Acetic acid, glacial, 99+%

CAS: 64-19-7 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00036152 InChI Key: QTBSBXVTEAMEQO-UHFFFAOYSA-N Synonym: ethanoic acid,ethylic acid,acetic acid, glacial,methanecarboxylic acid,vinegar acid,glacial,acetasol,acide acetique,essigsaeure PubChem CID: 176 ChEBI: CHEBI:15366 IUPAC Name: acetic acid SMILES: CC(O)=O

PubChem CID 176
CAS 64-19-7
Molecular Weight (g/mol) 60.05
ChEBI CHEBI:15366
MDL Number MFCD00036152
SMILES CC(O)=O
Synonym ethanoic acid,ethylic acid,acetic acid, glacial,methanecarboxylic acid,vinegar acid,glacial,acetasol,acide acetique,essigsaeure
IUPAC Name acetic acid
InChI Key QTBSBXVTEAMEQO-UHFFFAOYSA-N
Molecular Formula C2H4O2
4

Allyl acetate, 97%

CAS: 591-87-7 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.117 MDL Number: MFCD00008721 InChI Key: FWZUNOYOVVKUNF-UHFFFAOYSA-N Synonym: allyl acetate,3-acetoxypropene,acetic acid, 2-propenyl ester,2-propenyl acetate,2-propenyl ethanoate,3-acetoxy-1-propene,allylacetate,acetic acid, allyl ester,2-propenyl methanoate,unii-e4u5e5990i PubChem CID: 11584 IUPAC Name: prop-2-enyl acetate SMILES: CC(=O)OCC=C

PubChem CID 11584
CAS 591-87-7
Molecular Weight (g/mol) 100.117
MDL Number MFCD00008721
SMILES CC(=O)OCC=C
Synonym allyl acetate,3-acetoxypropene,acetic acid, 2-propenyl ester,2-propenyl acetate,2-propenyl ethanoate,3-acetoxy-1-propene,allylacetate,acetic acid, allyl ester,2-propenyl methanoate,unii-e4u5e5990i
IUPAC Name prop-2-enyl acetate
InChI Key FWZUNOYOVVKUNF-UHFFFAOYSA-N
Molecular Formula C5H8O2
5

Ethyl 3-phenylpropionate, 98+%

CAS: 2021-28-5 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00009206 InChI Key: JAGZUIGGHGTFHO-UHFFFAOYSA-N Synonym: ethyl 3-phenylpropionate,ethyl hydrocinnamate,ethyl dihydrocinnamate,benzenepropanoic acid, ethyl ester,3-phenylpropionic acid ethyl ester,hydrocinnamic acid, ethyl ester,ethylhydrocinnamoate,ethyl benzenepropanoate,unii-58e9z9v64d,ethylphenyl propanoate PubChem CID: 16237 IUPAC Name: ethyl 3-phenylpropanoate SMILES: CCOC(=O)CCC1=CC=CC=C1

PubChem CID 16237
CAS 2021-28-5
Molecular Weight (g/mol) 178.231
MDL Number MFCD00009206
SMILES CCOC(=O)CCC1=CC=CC=C1
Synonym ethyl 3-phenylpropionate,ethyl hydrocinnamate,ethyl dihydrocinnamate,benzenepropanoic acid, ethyl ester,3-phenylpropionic acid ethyl ester,hydrocinnamic acid, ethyl ester,ethylhydrocinnamoate,ethyl benzenepropanoate,unii-58e9z9v64d,ethylphenyl propanoate
IUPAC Name ethyl 3-phenylpropanoate
InChI Key JAGZUIGGHGTFHO-UHFFFAOYSA-N
Molecular Formula C11H14O2
6

Ethyl acetopyruvate, 98%

CAS: 615-79-2 Molecular Formula: C7H10O4 Molecular Weight (g/mol): 158.15 MDL Number: MFCD00009124 InChI Key: OYQVQWIASIXXRT-UHFFFAOYSA-N PubChem CID: 69208 IUPAC Name: ethyl 2,4-dioxopentanoate SMILES: CCOC(=O)C(=O)CC(C)=O

PubChem CID 69208
CAS 615-79-2
Molecular Weight (g/mol) 158.15
MDL Number MFCD00009124
SMILES CCOC(=O)C(=O)CC(C)=O
IUPAC Name ethyl 2,4-dioxopentanoate
InChI Key OYQVQWIASIXXRT-UHFFFAOYSA-N
Molecular Formula C7H10O4
7

n-Butyl acetate, 99+%

CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O

PubChem CID 31272
CAS 123-86-4
Molecular Weight (g/mol) 116.16
ChEBI CHEBI:31328
MDL Number MFCD00009445
SMILES CCCCOC(C)=O
Synonym n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle
IUPAC Name butyl acetate
InChI Key DKPFZGUDAPQIHT-UHFFFAOYSA-N
Molecular Formula C6H12O2
8

Indoxyl acetate, 97%

CAS: 608-08-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00014561 InChI Key: JBOPQACSHPPKEP-UHFFFAOYSA-N Synonym: 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester PubChem CID: 11841 IUPAC Name: 1H-indol-3-yl acetate SMILES: CC(=O)OC1=CNC2=CC=CC=C21

PubChem CID 11841
CAS 608-08-2
Molecular Weight (g/mol) 175.19
MDL Number MFCD00014561
SMILES CC(=O)OC1=CNC2=CC=CC=C21
Synonym 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester
IUPAC Name 1H-indol-3-yl acetate
InChI Key JBOPQACSHPPKEP-UHFFFAOYSA-N
Molecular Formula C10H9NO2
9

5-Methylindole-2-carboxylic acid, 99%

CAS: 10241-97-1 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00047166 InChI Key: DAITVOCMWPNFTL-UHFFFAOYSA-N Synonym: 5-methylindole-2-carboxylic acid,5-methyl-2-indolecarboxylic acid,chembl23328,1h-indole-2-carboxylic acid, 5-methyl,acmc-1bxae,5-me-ica,daitvocmwpnftl-uhfffaoysa,5-methyl indole-2-carboxylic acid,1h-indole-2-carboxylicacid, 5-methyl,# PubChem CID: 259188 IUPAC Name: 5-methyl-1H-indole-2-carboxylic acid SMILES: CC1=CC=C2NC(=CC2=C1)C(O)=O

PubChem CID 259188
CAS 10241-97-1
Molecular Weight (g/mol) 175.19
MDL Number MFCD00047166
SMILES CC1=CC=C2NC(=CC2=C1)C(O)=O
Synonym 5-methylindole-2-carboxylic acid,5-methyl-2-indolecarboxylic acid,chembl23328,1h-indole-2-carboxylic acid, 5-methyl,acmc-1bxae,5-me-ica,daitvocmwpnftl-uhfffaoysa,5-methyl indole-2-carboxylic acid,1h-indole-2-carboxylicacid, 5-methyl,#
IUPAC Name 5-methyl-1H-indole-2-carboxylic acid
InChI Key DAITVOCMWPNFTL-UHFFFAOYSA-N
Molecular Formula C10H9NO2
10

1-Naphthylacetic acid, 95%, may cont. up to 5% 2-isomer

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
11

Ethyl pyruvate, 98%

CAS: 617-35-6 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.116 MDL Number: MFCD00009123 InChI Key: XXRCUYVCPSWGCC-UHFFFAOYSA-N Synonym: ethyl pyruvate,ethyl 2-oxopropionate,pyruvic acid, ethyl ester,propanoic acid, 2-oxo-, ethyl ester,pyruvic acid ethyl ester,ethyl pyroracemate,ethyl acetylformate,2-oxo-propionic acid ethyl ester,ethyl pyruvate natural,ethyl alpha-ketopropionate PubChem CID: 12041 IUPAC Name: ethyl 2-oxopropanoate SMILES: CCOC(=O)C(=O)C

PubChem CID 12041
CAS 617-35-6
Molecular Weight (g/mol) 116.116
MDL Number MFCD00009123
SMILES CCOC(=O)C(=O)C
Synonym ethyl pyruvate,ethyl 2-oxopropionate,pyruvic acid, ethyl ester,propanoic acid, 2-oxo-, ethyl ester,pyruvic acid ethyl ester,ethyl pyroracemate,ethyl acetylformate,2-oxo-propionic acid ethyl ester,ethyl pyruvate natural,ethyl alpha-ketopropionate
IUPAC Name ethyl 2-oxopropanoate
InChI Key XXRCUYVCPSWGCC-UHFFFAOYSA-N
Molecular Formula C5H8O3
12

3-Indoxyl acetate, 97%

CAS: 608-08-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD00014561 InChI Key: JBOPQACSHPPKEP-UHFFFAOYSA-N Synonym: 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester PubChem CID: 11841 IUPAC Name: 1H-indol-3-yl acetate SMILES: CC(=O)OC1=CNC2=CC=CC=C21

PubChem CID 11841
CAS 608-08-2
Molecular Weight (g/mol) 175.187
MDL Number MFCD00014561
SMILES CC(=O)OC1=CNC2=CC=CC=C21
Synonym 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester
IUPAC Name 1H-indol-3-yl acetate
InChI Key JBOPQACSHPPKEP-UHFFFAOYSA-N
Molecular Formula C10H9NO2
13

Propionic anhydride, 99

CAS: 123-62-6 Molecular Formula: C6;H1;0;O3; Molecular Weight (g/mol): 130.14

CAS 123-62-6
Molecular Weight (g/mol) 130.14
Molecular Formula C6;H1;0;O3;
14

Isobutyl acetate, 98%

CAS: 110-19-0 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008932 InChI Key: GJRQTCIYDGXPES-UHFFFAOYSA-N Synonym: isobutyl acetate,isobutyl ethanoate,acetic acid, 2-methylpropyl ester,2-methyl-1-propyl acetate,2-methylpropyl ethanoate,acetic acid, isobutyl ester,acetic acid isobutyl ester,acetate d'isobutyle,iso-butyl acetate,beta-methylpropyl ethanoate PubChem CID: 8038 ChEBI: CHEBI:50569 IUPAC Name: 2-methylpropyl acetate SMILES: CC(C)COC(C)=O

PubChem CID 8038
CAS 110-19-0
Molecular Weight (g/mol) 116.16
ChEBI CHEBI:50569
MDL Number MFCD00008932
SMILES CC(C)COC(C)=O
Synonym isobutyl acetate,isobutyl ethanoate,acetic acid, 2-methylpropyl ester,2-methyl-1-propyl acetate,2-methylpropyl ethanoate,acetic acid, isobutyl ester,acetic acid isobutyl ester,acetate d'isobutyle,iso-butyl acetate,beta-methylpropyl ethanoate
IUPAC Name 2-methylpropyl acetate
InChI Key GJRQTCIYDGXPES-UHFFFAOYSA-N
Molecular Formula C6H12O2
15

Isovaleric acid, 98%

CAS: 503-74-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00002726 InChI Key: GWYFCOCPABKNJV-UHFFFAOYSA-N Synonym: isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid PubChem CID: 10430 ChEBI: CHEBI:28484 IUPAC Name: 3-methylbutanoic acid SMILES: CC(C)CC(O)=O

PubChem CID 10430
CAS 503-74-2
Molecular Weight (g/mol) 102.13
ChEBI CHEBI:28484
MDL Number MFCD00002726
SMILES CC(C)CC(O)=O
Synonym isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid
IUPAC Name 3-methylbutanoic acid
InChI Key GWYFCOCPABKNJV-UHFFFAOYSA-N
Molecular Formula C5H10O2