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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n-Butyl Acetate (Reagent), Fisher Chemical™

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

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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

Isobutyl isobutyrate, 98%

CAS: 97-85-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00008916 InChI Key: RXGUIWHIADMCFC-UHFFFAOYSA-N Synonym: isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate PubChem CID: 7351 IUPAC Name: 2-methylpropyl 2-methylpropanoate SMILES: CC(C)COC(=O)C(C)C

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Specifications

PubChem CID	7351
CAS	97-85-8
Molecular Weight (g/mol)	144.21
MDL Number	MFCD00008916
SMILES	CC(C)COC(=O)C(C)C
Synonym	isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate
IUPAC Name	2-methylpropyl 2-methylpropanoate
InChI Key	RXGUIWHIADMCFC-UHFFFAOYSA-N
Molecular Formula	C8H16O2

Propionic Acid (Certified ACS), Fisher Chemical

CAS: 79-09-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.079 MDL Number: MFCD00002756 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

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Specifications

PubChem CID	1032
CAS	79-09-4
Molecular Weight (g/mol)	74.079
ChEBI	CHEBI:30768
MDL Number	MFCD00002756
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
Molecular Formula	C3H6O2

Isopropyl Acetate, Certified Reference Material, MilliporeSigma™ Supelco™

Pharmaceutical secondary standards for applications in quality control. Provides pharma laboratories and manufacturers with a convenient, cost-effective alternative to the preparation of in-house working standards.

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Specifications

Boiling Point	85°C to 91°C (literature)
Linear Formula	CH3COOCH(CH3)2
Grade	Certified Reference Material
Vapor Pressure	47 mmHg (20°C)
Vapor Density	3.5 (vs air)
CAS	108-21-4
MDL Number	MFCD00008877
Flash Point	4°C (Not applicable)
Health Hazard 1	H225 - H319 - H336
Refractive Index	n20/D 1.377 (literature)
Synonym	Isopropyl Acetate; Acetic Acid Isopropyl Ester
Molecular Formula	C5H10O2
Formula Weight	102.13
Melting Point	-73°C (literature)

Propyl Acetate, Certified Reference Material, MilliporeSigma™ Supelco™

Pharmaceutical secondary standards for application in quality control. Provides pharma laboratories and manufacturers with a convenient, and cost-effective alternative to the preparation of in-house working standards.

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TraceCERT™ EPA Phthalate Esters Mix, 2000 μg/mL, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

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Everolimus Analytical Standard, MilliporeSigma™ Supelco™

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PESTANAL™ 3-(Methylphosphinico)propionic acid, MilliporeSigma™ Supelco™

3-(Methylphosphinico)propionic acid is a metabolite of the pesticide, glufosinate ammonium.

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3-(Trimethylsilyl)propionic-2,2,3,3-d4 acid sodium salt 98 atom% D, ≥98.0% (NMR), MilliporeSigma™ Supelco™

MDL Number: MFCD00002762

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Specifications

MDL Number	MFCD00002762

Fusaric acid, For HPLC derivatization (HPLC), ≥99.0% (HPLC), MilliporeSigma™ Supelco™

MDL Number: MFCD00006298 Synonym: 5-Butylpicolinic acid; 5-Butylpyridine-2-carboxylic acid

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Specifications

MDL Number	MFCD00006298
Synonym	5-Butylpicolinic acid; 5-Butylpyridine-2-carboxylic acid

Manganese(II) acetate tetrahydrate, Mn 22% (typical)

CAS: 6156-78-1 Molecular Formula: C4H14MnO8 Molecular Weight (g/mol): 245.09 MDL Number: MFCD00062552 InChI Key: CESXSDZNZGSWSP-UHFFFAOYSA-L Synonym: manganese ii acetate tetrahydrate,manganese acetate tetrahydrate,manganous acetate tetrahydrate,unii-9to51d176n,manganese diacetate, tetrahydrate,manganese 2+ diacetate tetrahydrate,acetic acid, manganese 2+ salt, tetrahydrate,manganese ii acetatetetrahydrate,acmc-20akkp PubChem CID: 93021 IUPAC Name: manganese(2+);diacetate;tetrahydrate SMILES: O.O.O.O.[Mn++].CC([O-])=O.CC([O-])=O

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Specifications

PubChem CID	93021
CAS	6156-78-1
Molecular Weight (g/mol)	245.09
MDL Number	MFCD00062552
SMILES	O.O.O.O.[Mn++].CC([O-])=O.CC([O-])=O
Synonym	manganese ii acetate tetrahydrate,manganese acetate tetrahydrate,manganous acetate tetrahydrate,unii-9to51d176n,manganese diacetate, tetrahydrate,manganese 2+ diacetate tetrahydrate,acetic acid, manganese 2+ salt, tetrahydrate,manganese ii acetatetetrahydrate,acmc-20akkp
IUPAC Name	manganese(2+);diacetate;tetrahydrate
InChI Key	CESXSDZNZGSWSP-UHFFFAOYSA-L
Molecular Formula	C4H14MnO8

Methacrylic acid, 99+%, stab. with 250ppm 4-methoxyphenol

CAS: 79-41-4 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00002651 InChI Key: CERQOIWHTDAKMF-UHFFFAOYSA-N Synonym: methacrylic acid,2-methylacrylic acid,2-propenoic acid, 2-methyl,methylacrylic acid,2-methylpropenoic acid,2-methyl-2-propenoic acid,alpha-methacrylic acid,alpha-methylacrylic acid,2-methylenepropionic acid,acrylic acid, 2-methyl PubChem CID: 4093 ChEBI: CHEBI:25219 IUPAC Name: 2-methylprop-2-enoic acid SMILES: CC(=C)C(=O)O

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Specifications

PubChem CID	4093
CAS	79-41-4
Molecular Weight (g/mol)	86.09
ChEBI	CHEBI:25219
MDL Number	MFCD00002651
SMILES	CC(=C)C(=O)O
Synonym	methacrylic acid,2-methylacrylic acid,2-propenoic acid, 2-methyl,methylacrylic acid,2-methylpropenoic acid,2-methyl-2-propenoic acid,alpha-methacrylic acid,alpha-methylacrylic acid,2-methylenepropionic acid,acrylic acid, 2-methyl
IUPAC Name	2-methylprop-2-enoic acid
InChI Key	CERQOIWHTDAKMF-UHFFFAOYSA-N
Molecular Formula	C4H6O2

Ethyl propionate

CAS: 105-37-3 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 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

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Specifications

PubChem CID	7749
CAS	105-37-3
Molecular Weight (g/mol)	102.133
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

1-Cyclohexene-1-acetic acid

CAS: 18294-87-6 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.182 MDL Number: MFCD00015482 InChI Key: KDFBPHXESBPHTK-UHFFFAOYSA-N Synonym: 1-cyclohexenylacetic acid,1-cyclohexene-1-acetic acid,2-cyclohex-1-en-1-yl acetic acid,cyclohex-1-enylacetic acid,1-cyclohexene-1-aceticacid,2-cyclohexen-1-yl acetic acid,2-cyclohex-1-enylacetic acid,cyclohex-1-en-1-ylacetic acid,1-cyclohexenylacetate,cyclohexenylacetic acid PubChem CID: 86699 IUPAC Name: 2-(cyclohexen-1-yl)acetic acid SMILES: C1CCC(=CC1)CC(=O)O

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Specifications

PubChem CID	86699
CAS	18294-87-6
Molecular Weight (g/mol)	140.182
MDL Number	MFCD00015482
SMILES	C1CCC(=CC1)CC(=O)O
Synonym	1-cyclohexenylacetic acid,1-cyclohexene-1-acetic acid,2-cyclohex-1-en-1-yl acetic acid,cyclohex-1-enylacetic acid,1-cyclohexene-1-aceticacid,2-cyclohexen-1-yl acetic acid,2-cyclohex-1-enylacetic acid,cyclohex-1-en-1-ylacetic acid,1-cyclohexenylacetate,cyclohexenylacetic acid
IUPAC Name	2-(cyclohexen-1-yl)acetic acid
InChI Key	KDFBPHXESBPHTK-UHFFFAOYSA-N
Molecular Formula	C8H12O2

Amyl Acetate, Mixed Isomers, Purified, J.T. Baker™

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

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Specifications

PubChem CID	12348
CAS	628-63-7
Molecular Weight (g/mol)	130.187
ChEBI	CHEBI:87362
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

Monocarboxylic acids and derivatives

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