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Compuestos de carbonilo

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1

Acetoacetato de etilo, 99+ %, Thermo Scientific Chemicals

CAS: 141-97-9 Fórmula molecular: C6H10O3 Peso molecular (g/mol): 130.143 Número MDL: MFCD00009199 Clave InChI: XYIBRDXRRQCHLP-UHFFFAOYSA-N Sinónimo: ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 Nombre IUPAC: 3-oxobutanoato de etilo SMILES: CCOC(=O)CC(=O)C

EDGE
Sinónimo ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate
Clave InChI XYIBRDXRRQCHLP-UHFFFAOYSA-N
PubChem CID 8868
Fórmula molecular C6H10O3
CAS 141-97-9
ChEBI CHEBI:4893
Peso molecular (g/mol) 130.143
Número MDL MFCD00009199
SMILES CCOC(=O)CC(=O)C
Nombre IUPAC 3-oxobutanoato de etilo
2

Thermo Scientific Chemicals D-Fructosa, 99 %

CAS: 57-48-7 Fórmula molecular: C6H12O6 Peso molecular (g/mol): 180.156 Número MDL: MFCD00148910 Clave InChI: BJHIKXHVCXFQLS-UYFOZJQFSA-N Sinónimo: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 Nombre IUPAC: (3S,4R,5R)-1,3,4,5,6-pentahidroxihexan-2-ona SMILES: C(C(C(C(C(=O)CO)O)O)O)O

EDGE
Sinónimo d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300
Clave InChI BJHIKXHVCXFQLS-UYFOZJQFSA-N
PubChem CID 5984
Fórmula molecular C6H12O6
CAS 57-48-7
ChEBI CHEBI:48095
Peso molecular (g/mol) 180.156
Número MDL MFCD00148910
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Nombre IUPAC (3S,4R,5R)-1,3,4,5,6-pentahidroxihexan-2-ona
3

Tris(dibencilidenacetona)dipaladio(0), 97 %, Thermo Scientific Chemicals

CAS: 51364-51-3 Fórmula molecular: C51H42O3Pd2 Peso molecular (g/mol): 915.73 Número MDL: MFCD00013310 Clave InChI: CYPYTURSJDMMMP-UHFFFAOYSA-N Sinónimo: trisdibencilideneacetona dipaladio 0,trisdibencilideneacetona dipaladio,trisdibencilideneacetona dipaladio o,trisdibencilideneacetona bipaladio,tris 1e,4e-1,5-difenilpenta-1,4-dien-3-ona dipaladio,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium PubChem CID: 9811564 Nombre IUPAC: (1E,4E)-1,5-difenilpenta-1,4-dien-3-ona; paladio SMILES: [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1

Sinónimo trisdibencilideneacetona dipaladio 0,trisdibencilideneacetona dipaladio,trisdibencilideneacetona dipaladio o,trisdibencilideneacetona bipaladio,tris 1e,4e-1,5-difenilpenta-1,4-dien-3-ona dipaladio,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium
Clave InChI CYPYTURSJDMMMP-UHFFFAOYSA-N
PubChem CID 9811564
Fórmula molecular C51H42O3Pd2
CAS 51364-51-3
Peso molecular (g/mol) 915.73
Número MDL MFCD00013310
SMILES [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1
Nombre IUPAC (1E,4E)-1,5-difenilpenta-1,4-dien-3-ona; paladio
4

Acetofenona, 98 %, puro, Thermo Scientific Chemicals

CAS: 98-86-2 Número MDL: MFCD00008724 Clave InChI: KWOLFJPFCHCOCG-UHFFFAOYSA-N Sinónimo: acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol PubChem CID: 7410 ChEBI: CHEBI:27632 Nombre IUPAC: 1-feniletanona SMILES: CC(=O)C1=CC=CC=C1

EDGE
Sinónimo acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol
Clave InChI KWOLFJPFCHCOCG-UHFFFAOYSA-N
PubChem CID 7410
CAS 98-86-2
ChEBI CHEBI:27632
Número MDL MFCD00008724
SMILES CC(=O)C1=CC=CC=C1
Nombre IUPAC 1-feniletanona
5

Ácido malónico, 99 %, Thermo Scientific Chemicals

CAS: 141-82-2 Fórmula molecular: C3H4O4 Peso molecular (g/mol): 104.06 Clave InChI: OFOBLEOULBTSOW-UHFFFAOYSA-N Sinónimo: malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid PubChem CID: 867 ChEBI: CHEBI:30794 Nombre IUPAC: ácido propanodioico SMILES: C(C(=O)O)C(=O)O

EDGE
Sinónimo malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid
Clave InChI OFOBLEOULBTSOW-UHFFFAOYSA-N
PubChem CID 867
Fórmula molecular C3H4O4
CAS 141-82-2
ChEBI CHEBI:30794
Peso molecular (g/mol) 104.06
SMILES C(C(=O)O)C(=O)O
Nombre IUPAC ácido propanodioico
6

D(-)-Fructosa, especificada según los requisitos de USP, Thermo Scientific Chemicals

CAS: 57-48-7 Fórmula molecular: C6H12O6 Peso molecular (g/mol): 180.16 Clave InChI: BJHIKXHVCXFQLS-UYFOZJQFSA-N Sinónimo: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 Nombre IUPAC: (3S,4R,5R)-1,3,4,5,6-pentahidroxihexan-2-ona SMILES: C(C(C(C(C(=O)CO)O)O)O)O

EDGE
Sinónimo d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300
Clave InChI BJHIKXHVCXFQLS-UYFOZJQFSA-N
PubChem CID 5984
Fórmula molecular C6H12O6
CAS 57-48-7
ChEBI CHEBI:48095
Peso molecular (g/mol) 180.16
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Nombre IUPAC (3S,4R,5R)-1,3,4,5,6-pentahidroxihexan-2-ona
7

Propiofenona, 99 %, Thermo Scientific Chemicals

CAS: 93-55-0 Fórmula molecular: C9H10O Peso molecular (g/mol): 134.178 Número MDL: MFCD00009309 Clave InChI: KRIOVPPHQSLHCZ-UHFFFAOYSA-N Sinónimo: propiophenone,ethyl phenyl ketone,propionylbenzene,1-phenyl-1-propanone,1-propanone, 1-phenyl,phenyl ethyl ketone,ketone, ethyl phenyl,propionphenone,usaf ek-1235,1-phenyl-propan-1-one PubChem CID: 7148 ChEBI: CHEBI:425902 Nombre IUPAC: 1-fenilpropan-1-ona SMILES: CCC(=O)C1=CC=CC=C1

EDGE
Sinónimo propiophenone,ethyl phenyl ketone,propionylbenzene,1-phenyl-1-propanone,1-propanone, 1-phenyl,phenyl ethyl ketone,ketone, ethyl phenyl,propionphenone,usaf ek-1235,1-phenyl-propan-1-one
Clave InChI KRIOVPPHQSLHCZ-UHFFFAOYSA-N
PubChem CID 7148
Fórmula molecular C9H10O
CAS 93-55-0
ChEBI CHEBI:425902
Peso molecular (g/mol) 134.178
Número MDL MFCD00009309
SMILES CCC(=O)C1=CC=CC=C1
Nombre IUPAC 1-fenilpropan-1-ona
8

Glioxal, 40 % en peso dis. ac., Thermo Scientific Chemicals

CAS: 107-22-2 Fórmula molecular: C2H2O2 Peso molecular (g/mol): 58.036 Número MDL: MFCD00006957 Clave InChI: LEQAOMBKQFMDFZ-UHFFFAOYSA-N Sinónimo: glyoxal,ethanedial,oxalaldehyde,1,2-ethanedione,glyoxylaldehyde,biformal,biformyl,diformal,diformyl,aerotex glyoxal 40 PubChem CID: 7860 ChEBI: CHEBI:34779 Nombre IUPAC: oxaldehído SMILES: C(=O)C=O

EDGE
Sinónimo glyoxal,ethanedial,oxalaldehyde,1,2-ethanedione,glyoxylaldehyde,biformal,biformyl,diformal,diformyl,aerotex glyoxal 40
Clave InChI LEQAOMBKQFMDFZ-UHFFFAOYSA-N
PubChem CID 7860
Fórmula molecular C2H2O2
CAS 107-22-2
ChEBI CHEBI:34779
Peso molecular (g/mol) 58.036
Número MDL MFCD00006957
SMILES C(=O)C=O
Nombre IUPAC oxaldehído
9

Vainillina, 99 %, pura, Thermo Scientific Chemicals

CAS: 121-33-5 Fórmula molecular: C8H8O3 Peso molecular (g/mol): 152.15 Número MDL: MFCD00006942,MFCD08702848 Clave InChI: MWOOGOJBHIARFG-UHFFFAOYSA-N Sinónimo: vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde PubChem CID: 1183 ChEBI: CHEBI:18346 Nombre IUPAC: 4-hidroxi-3-metoxibenzaldehído SMILES: COC1=CC(C=O)=CC=C1O

EDGE
Sinónimo vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde
Clave InChI MWOOGOJBHIARFG-UHFFFAOYSA-N
PubChem CID 1183
Fórmula molecular C8H8O3
CAS 121-33-5
ChEBI CHEBI:18346
Peso molecular (g/mol) 152.15
Número MDL MFCD00006942,MFCD08702848
SMILES COC1=CC(C=O)=CC=C1O
Nombre IUPAC 4-hidroxi-3-metoxibenzaldehído
10

2,4-Dihidroxibenzaldehído, 98 %, Thermo Scientific Chemicals

CAS: 95-01-2 Fórmula molecular: C7H6O3 Peso molecular (g/mol): 138.12 Número MDL: MFCD00011686 Clave InChI: IUNJCFABHJZSKB-UHFFFAOYSA-N Sinónimo: beta-resorcylaldehyde,4-hydroxysalicylaldehyde,4-formylresorcinol,beta-resorcaldehyde,benzaldehyde, 2,4-dihydroxy,beta-resorcinaldehyde,beta-resorcylic aldehyde,2,4-dihydroxybenzenecarbonal,salicylaldehyde, 4-hydroxy,4-hydroxysalicyladehyde PubChem CID: 7213 ChEBI: CHEBI:50198 Nombre IUPAC: 2,4-dihidroxibenzaldehído SMILES: OC1=CC=C(C=O)C(O)=C1

EDGE
Sinónimo beta-resorcylaldehyde,4-hydroxysalicylaldehyde,4-formylresorcinol,beta-resorcaldehyde,benzaldehyde, 2,4-dihydroxy,beta-resorcinaldehyde,beta-resorcylic aldehyde,2,4-dihydroxybenzenecarbonal,salicylaldehyde, 4-hydroxy,4-hydroxysalicyladehyde
Clave InChI IUNJCFABHJZSKB-UHFFFAOYSA-N
PubChem CID 7213
Fórmula molecular C7H6O3
CAS 95-01-2
ChEBI CHEBI:50198
Peso molecular (g/mol) 138.12
Número MDL MFCD00011686
SMILES OC1=CC=C(C=O)C(O)=C1
Nombre IUPAC 2,4-dihidroxibenzaldehído
11

terc-Butil acetoacetato, 97 %, Thermo Scientific Chemicals

CAS: 1694-31-1 Fórmula molecular: C8H14O3 Peso molecular (g/mol): 158.2 Número MDL: MFCD00008811 Clave InChI: JKUYRAMKJLMYLO-UHFFFAOYSA-N Sinónimo: tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate PubChem CID: 15538 Nombre IUPAC: terc-butilo 3-oxobutanoato SMILES: CC(=O)CC(=O)OC(C)(C)C

EDGE
Sinónimo tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate
Clave InChI JKUYRAMKJLMYLO-UHFFFAOYSA-N
PubChem CID 15538
Fórmula molecular C8H14O3
CAS 1694-31-1
Peso molecular (g/mol) 158.2
Número MDL MFCD00008811
SMILES CC(=O)CC(=O)OC(C)(C)C
Nombre IUPAC terc-butilo 3-oxobutanoato
12

5-Metilfurfural, 98+ %, Thermo Scientific Chemicals

CAS: 620-02-0 Fórmula molecular: C6H6O2 Peso molecular (g/mol): 110.11 Número MDL: MFCD00003232 Clave InChI: OUDFNZMQXZILJD-UHFFFAOYSA-N Sinónimo: 5-methylfurfural,5-methyl-2-furaldehyde,5-methyl furfural,5-methyl-2-furfural,2-furancarboxaldehyde, 5-methyl,5-methylfuran-2-al,5-methyl-2-furancarboxaldehyde,5-methylfurfuraldehyde,2-furaldehyde, 5-methyl,2-formyl-5-methylfuran PubChem CID: 12097 ChEBI: CHEBI:2091 Nombre IUPAC: 5-metilfurano-2-carbaldehído SMILES: CC1=CC=C(O1)C=O

EDGE
Sinónimo 5-methylfurfural,5-methyl-2-furaldehyde,5-methyl furfural,5-methyl-2-furfural,2-furancarboxaldehyde, 5-methyl,5-methylfuran-2-al,5-methyl-2-furancarboxaldehyde,5-methylfurfuraldehyde,2-furaldehyde, 5-methyl,2-formyl-5-methylfuran
Clave InChI OUDFNZMQXZILJD-UHFFFAOYSA-N
PubChem CID 12097
Fórmula molecular C6H6O2
CAS 620-02-0
ChEBI CHEBI:2091
Peso molecular (g/mol) 110.11
Número MDL MFCD00003232
SMILES CC1=CC=C(O1)C=O
Nombre IUPAC 5-metilfurano-2-carbaldehído
13

Thermo Scientific Chemicals 2-Deoxi-D-ribosa, 99 %

CAS: 533-67-5 Fórmula molecular: C5H10O4 Peso molecular (g/mol): 134.13 Número MDL: MFCD00135904 Clave InChI: PDWIQYODPROSQH-GLULIZFNNA-N Sinónimo: 2-deoxy-d-ribose,thyminose,3s,4r-3,4,5-trihydroxypentanal,deoxyribose,2-deoxy-d-erythro-pentose,2-deoxyribose,d-drib,2-deoxy-d-arabinose,unii-lsw4h01241,2-deoxy-d-erythropentose PubChem CID: 5460005 ChEBI: CHEBI:28816 Nombre IUPAC: (3S,4R)-3,4,5-trihidroxipentanal SMILES: OC[C@H]1OC(O)C[C@@H]1O

EDGE
Sinónimo 2-deoxy-d-ribose,thyminose,3s,4r-3,4,5-trihydroxypentanal,deoxyribose,2-deoxy-d-erythro-pentose,2-deoxyribose,d-drib,2-deoxy-d-arabinose,unii-lsw4h01241,2-deoxy-d-erythropentose
Clave InChI PDWIQYODPROSQH-GLULIZFNNA-N
PubChem CID 5460005
Fórmula molecular C5H10O4
CAS 533-67-5
ChEBI CHEBI:28816
Peso molecular (g/mol) 134.13
Número MDL MFCD00135904
SMILES OC[C@H]1OC(O)C[C@@H]1O
Nombre IUPAC (3S,4R)-3,4,5-trihidroxipentanal
14

5-(Hidroximetil)furfural, 98 %, Thermo Scientific Chemicals

CAS: 67-47-0 Fórmula molecular: C6H6O3 Peso molecular (g/mol): 126.11 Clave InChI: NOEGNKMFWQHSLB-UHFFFAOYSA-N Sinónimo: 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole PubChem CID: 237332 ChEBI: CHEBI:412516 Nombre IUPAC: 5-(hidroximetil)furan-2-carbaldehído SMILES: C1=C(OC(=C1)C=O)CO

EDGE
Sinónimo 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole
Clave InChI NOEGNKMFWQHSLB-UHFFFAOYSA-N
PubChem CID 237332
Fórmula molecular C6H6O3
CAS 67-47-0
ChEBI CHEBI:412516
Peso molecular (g/mol) 126.11
SMILES C1=C(OC(=C1)C=O)CO
Nombre IUPAC 5-(hidroximetil)furan-2-carbaldehído
15

D-psicosa, 98 %, Thermo Scientific Chemicals

CAS: 551-68-8 Fórmula molecular: C6H12O6 Peso molecular (g/mol): 180.16 Número MDL: MFCD00083478 Clave InChI: BJHIKXHVCXFQLS-PUFIMZNGSA-N Sinónimo: erythrohexulose,3r,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,pseudofructose,unii-qcc18lng3e,d-ribo-hex-2-ulose,qcc18lng3e,dl-psicose,ribo-2-hexulose,d-ribo-2-ketohexose,keto-d-psicose PubChem CID: 90008 ChEBI: CHEBI:27605 Nombre IUPAC: (3R,4R,5R)-1,3,4,5,6-pentahidroxihexan-2-ona SMILES: C(C(C(C(C(=O)CO)O)O)O)O

EDGE
Sinónimo erythrohexulose,3r,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,pseudofructose,unii-qcc18lng3e,d-ribo-hex-2-ulose,qcc18lng3e,dl-psicose,ribo-2-hexulose,d-ribo-2-ketohexose,keto-d-psicose
Clave InChI BJHIKXHVCXFQLS-PUFIMZNGSA-N
PubChem CID 90008
Fórmula molecular C6H12O6
CAS 551-68-8
ChEBI CHEBI:27605
Peso molecular (g/mol) 180.16
Número MDL MFCD00083478
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Nombre IUPAC (3R,4R,5R)-1,3,4,5,6-pentahidroxihexan-2-ona