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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L-Lactic acid, anhydrous, 98%

CAS: 79-33-4 Formula molecolare: C3H6O3 Molecular Weight (g/mol): 90.078 Numero MDL: MFCD00064266 InChI Key: JVTAAEKCZFNVCJ-REOHCLBHSA-N Sinonimo: 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

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Sinonimo	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
Numero MDL	MFCD00064266
PubChem CID	107689
Formula molecolare	C3H6O3
CAS	79-33-4
Molecular Weight (g/mol)	90.078
ChEBI	CHEBI:422
SMILES	CC(C(=O)O)O
IUPAC Name	(2S)-2-hydroxypropanoic acid
InChI Key	JVTAAEKCZFNVCJ-REOHCLBHSA-N

n-Butyl acetate, 99+%

CAS: 123-86-4 Formula molecolare: C6H12O2 Molecular Weight (g/mol): 116.16 Numero MDL: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Sinonimo: 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

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Sinonimo	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
Numero MDL	MFCD00009445
PubChem CID	31272
Formula molecolare	C6H12O2
CAS	123-86-4
Molecular Weight (g/mol)	116.16
ChEBI	CHEBI:31328
SMILES	CCCCOC(C)=O
IUPAC Name	butyl acetate
InChI Key	DKPFZGUDAPQIHT-UHFFFAOYSA-N

Propionic acid, 99%, pure

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

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

Cyanoacetic acid, 97%

CAS: 372-09-8 Formula molecolare: C3H3NO2 Molecular Weight (g/mol): 85.062 Numero MDL: MFCD00002677 InChI Key: MLIREBYILWEBDM-UHFFFAOYSA-N Sinonimo: cyanoacetic acid,acetic acid, cyano,malonic mononitrile,acide cyanacetique,cyanessigsaeure,monocyanoacetic acid,malonic acid mononitrile,usaf kf-17,cyanoethanoic acid,kyselina kyanoctova PubChem CID: 9740 ChEBI: CHEBI:51889 IUPAC Name: 2-cyanoacetic acid SMILES: C(C#N)C(=O)O

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Sinonimo	cyanoacetic acid,acetic acid, cyano,malonic mononitrile,acide cyanacetique,cyanessigsaeure,monocyanoacetic acid,malonic acid mononitrile,usaf kf-17,cyanoethanoic acid,kyselina kyanoctova
Numero MDL	MFCD00002677
PubChem CID	9740
Formula molecolare	C3H3NO2
CAS	372-09-8
Molecular Weight (g/mol)	85.062
ChEBI	CHEBI:51889
SMILES	C(C#N)C(=O)O
IUPAC Name	2-cyanoacetic acid
InChI Key	MLIREBYILWEBDM-UHFFFAOYSA-N

Ammonium Acetate, Certified AR for Analysis, Fisher Chemical™

CAS: 631-61-8 Formula molecolare: C₂H₇NO₂ Numero MDL: 13066

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Numero MDL	13066
Formula molecolare	C₂H₇NO₂
CAS	631-61-8

Ammonium formate, 97%

CAS: 540-69-2 Formula molecolare: CH5NO2 Molecular Weight (g/mol): 63.056 Numero MDL: MFCD00013103 InChI Key: VZTDIZULWFCMLS-UHFFFAOYSA-N Sinonimo: ammonium formate,formic acid, ammonium salt,formic acid ammonium salt,ammoniumformate,azanium formate,ammonium formiate,formic acid, ammonium salt 1:1,mravencan amonny czech,hsdb 479,mravencan amonny PubChem CID: 2723923 ChEBI: CHEBI:63050 IUPAC Name: azanium;formate SMILES: C(=O)[O-].[NH4+]

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Sinonimo	ammonium formate,formic acid, ammonium salt,formic acid ammonium salt,ammoniumformate,azanium formate,ammonium formiate,formic acid, ammonium salt 1:1,mravencan amonny czech,hsdb 479,mravencan amonny
Numero MDL	MFCD00013103
PubChem CID	2723923
Formula molecolare	CH5NO2
CAS	540-69-2
Molecular Weight (g/mol)	63.056
ChEBI	CHEBI:63050
SMILES	C(=O)[O-].[NH4+]
IUPAC Name	azanium;formate
InChI Key	VZTDIZULWFCMLS-UHFFFAOYSA-N

Ethyl oleate, 98%, mixture of homologeous fatty acid esters

CAS: 111-62-6 Formula molecolare: C₂₀H₃₈O₂ Molecular Weight (g/mol): 310.51 InChI Key: LVGKNOAMLMIIKO-QXMHVHEDSA-N Sinonimo: ethyl oleate,ethyl cis-9-octadecenoate,oleic acid, ethyl ester,oleic acid ethyl ester,9-octadecenoic acid z-, ethyl ester,ethyl oleate nf,ethyl z-octadec-9-enoate,ethyl oleate natural,fema no. 2450 PubChem CID: 5363269 ChEBI: CHEBI:84940 IUPAC Name: ethyl (Z)-octadec-9-enoate SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC

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Sinonimo	ethyl oleate,ethyl cis-9-octadecenoate,oleic acid, ethyl ester,oleic acid ethyl ester,9-octadecenoic acid z-, ethyl ester,ethyl oleate nf,ethyl z-octadec-9-enoate,ethyl oleate natural,fema no. 2450
PubChem CID	5363269
Formula molecolare	C₂₀H₃₈O₂
CAS	111-62-6
Molecular Weight (g/mol)	310.51
ChEBI	CHEBI:84940
SMILES	CCCCCCCCC=CCCCCCCCC(=O)OCC
IUPAC Name	ethyl (Z)-octadec-9-enoate
InChI Key	LVGKNOAMLMIIKO-QXMHVHEDSA-N

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Thermo Scientific Chemicals (-)-Epigallocatechin gallate, 95%

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Levulinic Acid, 98+%

CAS: 123-76-2 Formula molecolare: C₅H₈O₃ Molecular Weight (g/mol): 116.12 Numero MDL: MFCD00002796 InChI Key: JOOXCMJARBKPKM-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	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
Numero MDL	MFCD00002796
PubChem CID	11579
Formula molecolare	C₅H₈O₃
CAS	123-76-2
Molecular Weight (g/mol)	116.12
ChEBI	CHEBI:45630
SMILES	CC(=O)CCC(=O)O
IUPAC Name	4-oxopentanoic acid
InChI Key	JOOXCMJARBKPKM-UHFFFAOYSA-N

2,2,4-Trimethyl-1,3-pentanediolmono(2-methylpropanoate), 98+%

CAS: 25265-77-4 Formula molecolare: C₁₂H₂₄O₃ Molecular Weight (g/mol): 216.32 Numero MDL: MFCD00148967 InChI Key: DAFHKNAQFPVRKR-UHFFFAOYSA-N Sinonimo: texanol,2,2,4-trimethyl-1,3-pentanediol monoisobutyrate,chissocizer cs 12,propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester,2,2,4-trimethylpentane-1,3-diol monoisobutyrate,3-hydroxy-2,2,4-trimethylpentyl isobutyrate,ccris 8966,isobutyraldehyde tishchenko trimer,propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol,2,2,4-trimethyl-1,3-pentanediolmono 2-methylpropanoate PubChem CID: 6490 IUPAC Name: (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate SMILES: CC(C)C(C(C)(C)COC(=O)C(C)C)O

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Sinonimo	texanol,2,2,4-trimethyl-1,3-pentanediol monoisobutyrate,chissocizer cs 12,propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester,2,2,4-trimethylpentane-1,3-diol monoisobutyrate,3-hydroxy-2,2,4-trimethylpentyl isobutyrate,ccris 8966,isobutyraldehyde tishchenko trimer,propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol,2,2,4-trimethyl-1,3-pentanediolmono 2-methylpropanoate
Numero MDL	MFCD00148967
PubChem CID	6490
Formula molecolare	C₁₂H₂₄O₃
CAS	25265-77-4
Molecular Weight (g/mol)	216.32
SMILES	CC(C)C(C(C)(C)COC(=O)C(C)C)O
IUPAC Name	(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate
InChI Key	DAFHKNAQFPVRKR-UHFFFAOYSA-N

Acetic acid, ammonium salt, 98%, pure

CAS: 631-61-8 Formula molecolare: C₂H₇NO₂ Molecular Weight (g/mol): 77.08 InChI Key: USFZMSVCRYTOJT-UHFFFAOYSA-N Sinonimo: 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: azano; acetato SMILES: CC(=O)[O-].[NH4+]

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Sinonimo	ammonium acetate,acetic acid, ammonium salt,azanium acetate,ammoniumacetate,acetic acid ammonium salt,ammonium ethanoate,unii-rre756s6q2,aconh4,ch3coonh4,ch3co2nh4
PubChem CID	517165
Formula molecolare	C₂H₇NO₂
CAS	631-61-8
Molecular Weight (g/mol)	77.08
ChEBI	CHEBI:62947
SMILES	CC(=O)[O-].[NH4+]
IUPAC Name	azano; acetato
InChI Key	USFZMSVCRYTOJT-UHFFFAOYSA-N

Ethyl 3-phenylpropionate, 98+%

CAS: 2021-28-5 Formula molecolare: C11H14O2 Molecular Weight (g/mol): 178.231 Numero MDL: MFCD00009206 InChI Key: JAGZUIGGHGTFHO-UHFFFAOYSA-N Sinonimo: 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

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Sinonimo	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
Numero MDL	MFCD00009206
PubChem CID	16237
Formula molecolare	C11H14O2
CAS	2021-28-5
Molecular Weight (g/mol)	178.231
SMILES	CCOC(=O)CCC1=CC=CC=C1
IUPAC Name	ethyl 3-phenylpropanoate
InChI Key	JAGZUIGGHGTFHO-UHFFFAOYSA-N

Cyclohexanecarboxylic acid, 98%

CAS: 98-89-5 Formula molecolare: C₇H₁₂O₂ Molecular Weight (g/mol): 128.17 Numero MDL: MFCD00001461 InChI Key: NZNMSOFKMUBTKW-UHFFFAOYSA-N Sinonimo: 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

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

Ammonium acetate, 97%

CAS: 631-61-8 Formula molecolare: C2H7NO2 Molecular Weight (g/mol): 77.083 Numero MDL: MFCD00013066 InChI Key: USFZMSVCRYTOJT-UHFFFAOYSA-N Sinonimo: 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: azano; acetato SMILES: CC(=O)[O-].[NH4+]

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

Propyl gallate, 98%

CAS: 121-79-9 Formula molecolare: C₁₀H₁₂O₅ Molecular Weight (g/mol): 212.2 Numero MDL: MFCD00002196 InChI Key: ZTHYODDOHIVTJV-UHFFFAOYSA-N Sinonimo: 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

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Sinonimo	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
Numero MDL	MFCD00002196
PubChem CID	4947
Formula molecolare	C₁₀H₁₂O₅
CAS	121-79-9
Molecular Weight (g/mol)	212.2
ChEBI	CHEBI:10607
SMILES	CCCOC(=O)C1=CC(=C(C(=C1)O)O)O
IUPAC Name	propyl 3,4,5-trihydroxybenzoate
InChI Key	ZTHYODDOHIVTJV-UHFFFAOYSA-N

Monocarboxylic acids and derivatives

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