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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Benzyl cyanoacetate, 97%

CAS: 14447-18-8 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00051719 InChI Key: RCUIWQWWDLZNMS-UHFFFAOYSA-N Synonym: benzyl cyanoacetate,acetic acid, cyano-, phenylmethyl ester,cyanoacetic acid benzyl ester,benzyl-cyanoacetate,acetic acid, cyano-, benzyl ester,acmc-20alph,phenylmethyl 2-cyanoacetate,cyano-acetic acid benzyl ester,benzyl ester of cyanoacetic acid PubChem CID: 560818 IUPAC Name: benzyl 2-cyanoacetate SMILES: O=C(CC#N)OCC1=CC=CC=C1

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Specifications

PubChem CID	560818
CAS	14447-18-8
Molecular Weight (g/mol)	175.19
MDL Number	MFCD00051719
SMILES	O=C(CC#N)OCC1=CC=CC=C1
Synonym	benzyl cyanoacetate,acetic acid, cyano-, phenylmethyl ester,cyanoacetic acid benzyl ester,benzyl-cyanoacetate,acetic acid, cyano-, benzyl ester,acmc-20alph,phenylmethyl 2-cyanoacetate,cyano-acetic acid benzyl ester,benzyl ester of cyanoacetic acid
IUPAC Name	benzyl 2-cyanoacetate
InChI Key	RCUIWQWWDLZNMS-UHFFFAOYSA-N
Molecular Formula	C10H9NO2

Benzyl acetate, 99%

CAS: 140-11-4 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008712 InChI Key: QUKGYYKBILRGFE-UHFFFAOYSA-N Synonym: acetic acid benzyl ester,benzyl ethanoate,acetic acid, phenylmethyl ester,phenylmethyl acetate,acetic acid, benzyl ester,alpha-acetoxytoluene,phenylmethyl ethanoate,acetoxymethyl benzene,benzylester kyseliny octove,caswell no. 081ea PubChem CID: 8785 ChEBI: CHEBI:52051 IUPAC Name: benzyl acetate SMILES: CC(=O)OCC1=CC=CC=C1

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Specifications

PubChem CID	8785
CAS	140-11-4
Molecular Weight (g/mol)	150.177
ChEBI	CHEBI:52051
MDL Number	MFCD00008712
SMILES	CC(=O)OCC1=CC=CC=C1
Synonym	acetic acid benzyl ester,benzyl ethanoate,acetic acid, phenylmethyl ester,phenylmethyl acetate,acetic acid, benzyl ester,alpha-acetoxytoluene,phenylmethyl ethanoate,acetoxymethyl benzene,benzylester kyseliny octove,caswell no. 081ea
IUPAC Name	benzyl acetate
InChI Key	QUKGYYKBILRGFE-UHFFFAOYSA-N
Molecular Formula	C9H10O2

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

Pricing and Availability
Specifications

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

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

Pricing and Availability
Specifications

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

n-Octyl gallate, 98+%

CAS: 1034-01-1 Molecular Formula: C15H22O5 Molecular Weight (g/mol): 282.336 MDL Number: MFCD00002197 InChI Key: NRPKURNSADTHLJ-UHFFFAOYSA-N Synonym: octyl gallate,n-octyl gallate,progallin o,stabilizer ga 8,n-octylgallate,gallic acid, octyl ester,gallic acid n-octyl ester,gallic acid octyl ester,benzoic acid, 3,4,5-trihydroxy-, octyl ester,oktylester kyseliny gallove PubChem CID: 61253 ChEBI: CHEBI:83631 IUPAC Name: octyl 3,4,5-trihydroxybenzoate SMILES: CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O

Pricing and Availability
Specifications

PubChem CID	61253
CAS	1034-01-1
Molecular Weight (g/mol)	282.336
ChEBI	CHEBI:83631
MDL Number	MFCD00002197
SMILES	CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
Synonym	octyl gallate,n-octyl gallate,progallin o,stabilizer ga 8,n-octylgallate,gallic acid, octyl ester,gallic acid n-octyl ester,gallic acid octyl ester,benzoic acid, 3,4,5-trihydroxy-, octyl ester,oktylester kyseliny gallove
IUPAC Name	octyl 3,4,5-trihydroxybenzoate
InChI Key	NRPKURNSADTHLJ-UHFFFAOYSA-N
Molecular Formula	C15H22O5

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

Pricing and Availability
Specifications

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

n-Butyl dodecanoate, 99+%

CAS: 106-18-3 Molecular Formula: C16H32O2 Molecular Weight (g/mol): 256.43 MDL Number: MFCD00042870 InChI Key: NDKYEUQMPZIGFN-UHFFFAOYSA-N Synonym: butyl laurate,dodecanoic acid, butyl ester,n-butyl laurate,bytyl laurate,butyl dodecylate,lauric acid butyl ester,lauric acid, butyl ester,lauric acid n-butyl ester,unii-23985ocm4h,n-butyl n-dodecanoate PubChem CID: 61015 IUPAC Name: butyl dodecanoate SMILES: CCCCCCCCCCCC(=O)OCCCC

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Specifications

PubChem CID	61015
CAS	106-18-3
Molecular Weight (g/mol)	256.43
MDL Number	MFCD00042870
SMILES	CCCCCCCCCCCC(=O)OCCCC
Synonym	butyl laurate,dodecanoic acid, butyl ester,n-butyl laurate,bytyl laurate,butyl dodecylate,lauric acid butyl ester,lauric acid, butyl ester,lauric acid n-butyl ester,unii-23985ocm4h,n-butyl n-dodecanoate
IUPAC Name	butyl dodecanoate
InChI Key	NDKYEUQMPZIGFN-UHFFFAOYSA-N
Molecular Formula	C16H32O2

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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

n-Pentyl acetate, 99%

CAS: 628-63-7 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 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

Pricing and Availability
Specifications

PubChem CID	12348
CAS	628-63-7
Molecular Weight (g/mol)	130.187
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

n-Butyl acetate, HPLC Grade, 99.5+%

Pricing and Availability
Specifications

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

n-Propyl acetate, 99%, pure

CAS: 109-60-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00009372 InChI Key: YKYONYBAUNKHLG-UHFFFAOYSA-N Synonym: n-propyl acetate,acetic acid, propyl ester,propyl ethanoate,1-acetoxypropane,n-propyl ethanoate,1-propyl acetate,acetic acid n-propyl ester,octan propylu,propylacetate,acetic acid propyl ester PubChem CID: 7997 ChEBI: CHEBI:40116 IUPAC Name: propyl acetate SMILES: CCCOC(C)=O

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Specifications

PubChem CID	7997
CAS	109-60-4
Molecular Weight (g/mol)	102.13
ChEBI	CHEBI:40116
MDL Number	MFCD00009372
SMILES	CCCOC(C)=O
Synonym	n-propyl acetate,acetic acid, propyl ester,propyl ethanoate,1-acetoxypropane,n-propyl ethanoate,1-propyl acetate,acetic acid n-propyl ester,octan propylu,propylacetate,acetic acid propyl ester
IUPAC Name	propyl acetate
InChI Key	YKYONYBAUNKHLG-UHFFFAOYSA-N
Molecular Formula	C5H10O2

n-Propyl acetate, 99%

Pricing and Availability
Specifications

PubChem CID	7997
CAS	109-60-4
Molecular Weight (g/mol)	102.13
ChEBI	CHEBI:40116
MDL Number	MFCD00009372
SMILES	CCCOC(C)=O
Synonym	n-propyl acetate,acetic acid, propyl ester,propyl ethanoate,1-acetoxypropane,n-propyl ethanoate,1-propyl acetate,acetic acid n-propyl ester,octan propylu,propylacetate,acetic acid propyl ester
IUPAC Name	propyl acetate
InChI Key	YKYONYBAUNKHLG-UHFFFAOYSA-N
Molecular Formula	C5H10O2

n-Butyl propionate, 99+%

CAS: 590-01-2 Molecular Formula: C₇H₁₄O₂ Molecular Weight (g/mol): 130.19 MDL Number: MFCD00009448 InChI Key: BTMVHUNTONAYDX-UHFFFAOYSA-N Synonym: butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate PubChem CID: 11529 IUPAC Name: butyl propanoate SMILES: CCCCOC(=O)CC

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Specifications

PubChem CID	11529
CAS	590-01-2
Molecular Weight (g/mol)	130.19
MDL Number	MFCD00009448
SMILES	CCCCOC(=O)CC
Synonym	butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate
IUPAC Name	butyl propanoate
InChI Key	BTMVHUNTONAYDX-UHFFFAOYSA-N
Molecular Formula	C₇H₁₄O₂

n-Propyl formate, 97%

CAS: 110-74-7 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00003295 InChI Key: KFNNIILCVOLYIR-UHFFFAOYSA-N Synonym: formic acid, propyl ester,n-propyl formate,propyl methanoate,formiate de propyle,formic acid propyl ester,propylester kyseliny mravenci,unii-wo1arv6gtw,formiate de propyle french,fema no. 2943,wo1arv6gtw PubChem CID: 8073 IUPAC Name: propyl formate SMILES: CCCOC=O

Pricing and Availability
Specifications

PubChem CID	8073
CAS	110-74-7
Molecular Weight (g/mol)	88.106
MDL Number	MFCD00003295
SMILES	CCCOC=O
Synonym	formic acid, propyl ester,n-propyl formate,propyl methanoate,formiate de propyle,formic acid propyl ester,propylester kyseliny mravenci,unii-wo1arv6gtw,formiate de propyle french,fema no. 2943,wo1arv6gtw
IUPAC Name	propyl formate
InChI Key	KFNNIILCVOLYIR-UHFFFAOYSA-N
Molecular Formula	C4H8O2

n-Butyl lactate, 99%

CAS: 138-22-7 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.19 MDL Number: MFCD00004519 InChI Key: MRABAEUHTLLEML-UHFFFAOYNA-N Synonym: butyl lactate,n-butyl lactate,lactic acid, butyl ester,propanoic acid, 2-hydroxy-, butyl ester,butyllactate,2-hydroxypropanoic acid butyl ester,butylester kyseliny mlecne,butyl alpha-hydroxypropionate,butyl lactate natural,fema no. 2205 PubChem CID: 8738 IUPAC Name: butyl 2-hydroxypropanoate SMILES: CCCCOC(=O)C(C)O

Pricing and Availability
Specifications

PubChem CID	8738
CAS	138-22-7
Molecular Weight (g/mol)	146.19
MDL Number	MFCD00004519
SMILES	CCCCOC(=O)C(C)O
Synonym	butyl lactate,n-butyl lactate,lactic acid, butyl ester,propanoic acid, 2-hydroxy-, butyl ester,butyllactate,2-hydroxypropanoic acid butyl ester,butylester kyseliny mlecne,butyl alpha-hydroxypropionate,butyl lactate natural,fema no. 2205
IUPAC Name	butyl 2-hydroxypropanoate
InChI Key	MRABAEUHTLLEML-UHFFFAOYNA-N
Molecular Formula	C7H14O3

Monocarboxylic acids and derivatives

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