Monocarboxylic acids and derivatives
n-Butyl Acetate (Reagent), Fisher Chemical™
CAS: 123-86-4 Formule moléculaire: C6H12O2 Poids moléculaire (g/mol): 116.16 Numéro MDL: MFCD00009445 Clé InChI: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 31272 ChEBI: CHEBI:31328 Nom IUPAC: butyl acetate SMILES: CCCCOC(C)=O
Isobutyl isobutyrate, 98%
CAS: 97-85-8 Formule moléculaire: C8H16O2 Poids moléculaire (g/mol): 144.21 Numéro MDL: MFCD00008916 Clé InChI: RXGUIWHIADMCFC-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 7351 Nom IUPAC: 2-methylpropyl 2-methylpropanoate SMILES: CC(C)COC(=O)C(C)C
Propionic acid, ≥99.5% (GC), Honeywell™ Fluka™
CAS: 79-09-4 Formule moléculaire: C3H6O2 Poids moléculaire (g/mol): 74.079 Numéro MDL: MFCD00002756 Clé InChI: XBDQKXXYIPTUBI-UHFFFAOYSA-N Synonyme: propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin CID PubChem: 1032 ChEBI: CHEBI:30768 Nom IUPAC: propanoic acid SMILES: CCC(=O)O
Propionic Acid (Certified ACS), Fisher Chemical
CAS: 79-09-4 Formule moléculaire: C3H6O2 Poids moléculaire (g/mol): 74.079 Numéro MDL: MFCD00002756 Clé InChI: XBDQKXXYIPTUBI-UHFFFAOYSA-N Synonyme: propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin CID PubChem: 1032 ChEBI: CHEBI:30768 Nom IUPAC: propanoic acid SMILES: CCC(=O)O
Ethyl 2,4-dioxo-5-methylhexanoate, 95%
CAS: 64195-85-3 Formule moléculaire: C9H14O4 Poids moléculaire (g/mol): 186.21 Numéro MDL: MFCD07323638 Clé InChI: HBJPUWYQVWIKSD-UHFFFAOYSA-N Synonyme: ethyl5-methyl-2,4-dioxohexanoate,ethyl 2,4-dioxo-5-methylhexanoate,5-methyl-2,4-dioxohexanoic acid ethyl ester,hexanoic acid,5-methyl-2,4-dioxo-, ethyl ester,5-methyl-2,4-dioxo-hexanoic acid ethyl ester,acmc-1bc7v,ethyl-2,4-dioxo-5-methylhexanoate,ethyl 5-methyl-2,4-dioxo-hexanoate,ethyl 5-methyl-2,4-bis oxidanylidene hexanoate CID PubChem: 3017501 Nom IUPAC: ethyl 5-methyl-2,4-dioxohexanoate SMILES: CCOC(=O)C(=O)CC(=O)C(C)C
3-(3,4-Difluorophenyl)propionic acid, 98%
CAS: 161712-75-0 Formule moléculaire: C9H8F2O2 Poids moléculaire (g/mol): 186.16 Numéro MDL: MFCD00799520 Clé InChI: UOZIYCHJMUNLIG-UHFFFAOYSA-N Synonyme: 3,4-difluorohydrocinnamic acid,3-3,4-difluorophenyl propanoic acid,3-3,4-difluorophenyl propionic acid,benzenepropanoic acid,3,4-difluoro,3-3,4-difluorophenyl-propionic acid,3,4-difluoro-benzenepropanoic acid,benzenepropanoic acid, 3,4-difluoro,acmc-1bx9z,3,4-difluorohydrocinnamicacid,benzenepropanoicacid,3,4-difluoro CID PubChem: 2778994 Nom IUPAC: 3-(3,4-difluorophenyl)propanoic acid SMILES: OC(=O)CCC1=CC(F)=C(F)C=C1
3-(4-Bromophenyl)propionic acid, 98%, Thermo Scientific Chemicals
CAS: 1643-30-7 Formule moléculaire: C9H9BrO2 Poids moléculaire (g/mol): 229.073 Numéro MDL: MFCD01310793 Clé InChI: NCSTWHYWOVZDOC-UHFFFAOYSA-N Synonyme: 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm CID PubChem: 2735609 Nom IUPAC: 3-(4-bromophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Br
1-Methylindazole-3-carboxylic acid, 97%
CAS: 50890-83-0 Formule moléculaire: C9H8N2O2 Poids moléculaire (g/mol): 176.175 Numéro MDL: MFCD00272569 Clé InChI: OVVDFORZEGKEJM-UHFFFAOYSA-N Synonyme: 1-methyl-1h-indazole-3-carboxylic acid,n-methyl-indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylic acid,1h-indazole-3-carboxylic acid, 1-methyl,1-methyl-indazole-3-carboxylic acid,n-methylindazole-3-carboxylic acid,1-methylindozole-3-carboxylic acid,n-methyl-indozole-3-carboxylic acid,n-methyl-1h indazole-3-carboxylic acid,1-methyl-3-indazolecarboxylicacid CID PubChem: 689105 Nom IUPAC: 1-methylindazole-3-carboxylic acid SMILES: CN1C2=CC=CC=C2C(=N1)C(=O)O
3,5-Dimethyladamantane-1-carboxylic acid, 97%
CAS: 14670-94-1 Formule moléculaire: C13H19O2 Poids moléculaire (g/mol): 207.29 Numéro MDL: MFCD00188067 Clé InChI: BSWOQWGHXZTDOO-QGVZIFMBSA-M Synonyme: 3,5-dimethyl-1-adamantanecarboxylic acid,1,3-dimethyladamantan-5-carboxylic acid,3,5-dimethyladamantanecarboxylic acid,maybridge1_002240,3,5-dimethyltricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3,5-dimethyl adamantane-1-carboxylic acid,acmc-20ancb,3,5-dimethyladamantane carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5-dimethyl CID PubChem: 2736224 Nom IUPAC: 3,5-dimethyladamantane-1-carboxylic acid SMILES: C[C@@]12CC3C[C@@](C)(C1)CC(C3)(C2)C([O-])=O
trans-4-Methylcyclohexanecarboxylic acid, 98%
CAS: 13064-83-0 Formule moléculaire: C8H14O2 Poids moléculaire (g/mol): 142.20 Numéro MDL: MFCD00074943,MFCD00074909,MFCD20617670 Clé InChI: QTDXSEZXAPHVBI-UHFFFAOYSA-N Synonyme: trans-4-methylcyclohexanecarboxylic acid,4-methylcyclohexanecarboxylic acid,4-methyl-1-cyclohexanecarboxylic acid,cis-4-methylcyclohexanecarboxylic acid,unii-70f0i2amtv,unii-m7dsk28350,trans-4-methyl-1-cyclohexanecarboxylic acid,trans-4-methyl hexahydrobenzoic acid,trans-4-methylcyclohexane carboxylic acid,70f0i2amtv CID PubChem: 20330 Nom IUPAC: 4-methylcyclohexane-1-carboxylic acid SMILES: CC1CCC(CC1)C(O)=O
1-Phenylcyclopropanecarboxylic acid, 97%
CAS: 6120-95-2 Formule moléculaire: C10H10O2 Poids moléculaire (g/mol): 162.188 Numéro MDL: MFCD00001288 Clé InChI: IWWCCNVRNHTGLV-UHFFFAOYSA-N Synonyme: 1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid CID PubChem: 80206 Nom IUPAC: 1-phenylcyclopropane-1-carboxylic acid SMILES: C1CC1(C2=CC=CC=C2)C(=O)O
1-Cyano-1-cyclopropanecarboxylic acid, 97%
CAS: 6914-79-0 Formule moléculaire: C5H4NO2 Poids moléculaire (g/mol): 110.09 Numéro MDL: MFCD00190651 Clé InChI: KSJJMSKNZVXAND-UHFFFAOYSA-M Synonyme: 1-cyanocyclopropanecarboxylic acid,1-cyano-1-cyclopropanecarboxylic acid,cyanocyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-cyano,cyclopropane, 4,1-cyanocyclopropane-carboxylic acid,1-cyano-1-cyclopropanecarboxylicacid,1-cyano-cyclo-propanecarboxylic acid,1-cyano-1-cyclopropane carboxylic acid,1-cyano-1-cyclopropane-carboxylic acid CID PubChem: 2733259 Nom IUPAC: 1-cyanocyclopropane-1-carboxylic acid SMILES: [O-]C(=O)C1(CC1)C#N
3-(3-Fluorophenyl)propionic acid, 97%
CAS: 458-45-7 Formule moléculaire: C9H9FO2 Poids moléculaire (g/mol): 168.167 Numéro MDL: MFCD01310821 Clé InChI: UBLMRADOKLXLCD-UHFFFAOYSA-N CID PubChem: 2737489 Nom IUPAC: 3-(3-fluorophenyl)propanoic acid SMILES: C1=CC(=CC(=C1)F)CCC(=O)O
2-Methylcyclopropanecarboxylic acid, cis + trans, 96%
CAS: 29555-02-0 Formule moléculaire: C5H7O2 Poids moléculaire (g/mol): 99.11 Numéro MDL: MFCD00001293 Clé InChI: AYEGPMGNMOIHDL-IUYQGCFVSA-M Synonyme: 2-methylcyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 2-methyl,2-methyl-1-cyclopropanecarboxylic acid,trans-2-methylcyclopropanecarboxylic acid,cis-2-methylcyclopropanecarboxylic acid,acmc-1cg8e,2-methyl-cyclopropanecarboxylic acid,2-methyl cyclopropane carboxylic acid,cyclopropanecarboxylicacid, 2-methyl CID PubChem: 99873 Nom IUPAC: 2-methylcyclopropane-1-carboxylic acid SMILES: C[C@H]1C[C@H]1C([O-])=O
Acetoxyacetone, 97%
CAS: 592-20-1 Formule moléculaire: C5H8O3 Poids moléculaire (g/mol): 116.116 Numéro MDL: MFCD00042848 Clé InChI: DBERHVIZRVGDFO-UHFFFAOYSA-N Synonyme: acetoxyacetone,acetonyl acetate,acetol acetate,2-propanone, 1-acetyloxy,acetoxypropanone,o-acetylacetol,1-acetoxyacetone,acetylmethyl acetate,acetoxy-2-propanone,1-acetoxy-2-propanone CID PubChem: 11593 Nom IUPAC: 2-oxopropyl acetate SMILES: CC(=O)COC(=O)C