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Carbonyl compounds

Organic compounds that contain one or more carbonyl (a carbon atom with a double bond to an oxygen atom) functional groups. Includes compounds with functional groups that contain a carbonyl in their structure such as ketones, aldehydes, and others.
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1

2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carbaldehyde, 97%, Thermo Scientific™

CAS: 38002-88-9 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.22 MDL Number: MFCD04115387 InChI Key: HGKYVFOYQUSRQN-UHFFFAOYSA-N Synonym: 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carbaldehyde,2,2-dimethyl-2,3-dihydrobenzofuran-7-carbaldehyde,7-benzofurancarboxaldehyde, 2,3-dihydro-2,2-dimethyl,2,2-dimethyl-7-formyl-2,3-dihydrobenzofuran,2,2-dimethyl-2,3-dihydro-benzofuran-7-carbaldehyde,2,3-dihydro-2,2-dimethylbenzofuran-7-carbaldehyde,2,2-dimethyl-2,3-dihydrobenzo b furan-7-carbaldehyde,2,3-dihydro-2,2-dimethylbenzofuran-7-carboxaldehyde,2,2-dimethyl-2,3-dihydro-1-benzo b furan-7-carbaldehyde PubChem CID: 2795471 SMILES: CC1(C)CC2=CC=CC(C=O)=C2O1

PubChem CID 2795471
CAS 38002-88-9
Molecular Weight (g/mol) 176.22
MDL Number MFCD04115387
SMILES CC1(C)CC2=CC=CC(C=O)=C2O1
Synonym 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carbaldehyde,2,2-dimethyl-2,3-dihydrobenzofuran-7-carbaldehyde,7-benzofurancarboxaldehyde, 2,3-dihydro-2,2-dimethyl,2,2-dimethyl-7-formyl-2,3-dihydrobenzofuran,2,2-dimethyl-2,3-dihydro-benzofuran-7-carbaldehyde,2,3-dihydro-2,2-dimethylbenzofuran-7-carbaldehyde,2,2-dimethyl-2,3-dihydrobenzo b furan-7-carbaldehyde,2,3-dihydro-2,2-dimethylbenzofuran-7-carboxaldehyde,2,2-dimethyl-2,3-dihydro-1-benzo b furan-7-carbaldehyde
InChI Key HGKYVFOYQUSRQN-UHFFFAOYSA-N
Molecular Formula C11H12O2
2
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D-(+)-Maltose Monohydrate, Fisher BioReagents

CAS: 6363-53-7 Molecular Formula: C12H24O12 Molecular Weight (g/mol): 360.31 MDL Number: MFCD00149343 InChI Key: HBDJFVFTHLOSDW-UHFFFAOYNA-N Synonym: d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra IUPAC Name: 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O

CAS 6363-53-7
Molecular Weight (g/mol) 360.31
MDL Number MFCD00149343
SMILES O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O
Synonym d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra
IUPAC Name 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate
InChI Key HBDJFVFTHLOSDW-UHFFFAOYNA-N
Molecular Formula C12H24O12
3

3-Bromo-5-chloro-2-hydroxybenzaldehyde, 97%

CAS: 19652-32-5 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD00051690 InChI Key: KNOYZLVIXXBBIB-UHFFFAOYSA-N Synonym: 3-bromo-5-chlorosalicylaldehyde,3-bromo-5-chlorosalicylic aldehyde,benzaldehyde, 3-bromo-5-chloro-2-hydroxy,3-bromo-5-chloro salicyclic aldehyde,3-bromo-5-chloro-2-hydroxy-benzaldehyde,3-bromo-5-chloro-o-hydroxybenzaldehyde,pubchem3591,acmc-1bs9s,akos bb-6948,knoyzlvixxbbib-uhfffaoysa PubChem CID: 519676 IUPAC Name: 3-bromo-5-chloro-2-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1Br)O)C=O)Cl

PubChem CID 519676
CAS 19652-32-5
Molecular Weight (g/mol) 235.461
MDL Number MFCD00051690
SMILES C1=C(C=C(C(=C1Br)O)C=O)Cl
Synonym 3-bromo-5-chlorosalicylaldehyde,3-bromo-5-chlorosalicylic aldehyde,benzaldehyde, 3-bromo-5-chloro-2-hydroxy,3-bromo-5-chloro salicyclic aldehyde,3-bromo-5-chloro-2-hydroxy-benzaldehyde,3-bromo-5-chloro-o-hydroxybenzaldehyde,pubchem3591,acmc-1bs9s,akos bb-6948,knoyzlvixxbbib-uhfffaoysa
IUPAC Name 3-bromo-5-chloro-2-hydroxybenzaldehyde
InChI Key KNOYZLVIXXBBIB-UHFFFAOYSA-N
Molecular Formula C7H4BrClO2
4

Pyrrole-2-carboxaldehyde, 99%

CAS: 1003-29-8 Molecular Formula: C5H5NO Molecular Weight (g/mol): 95.1 MDL Number: MFCD00005217 InChI Key: ZSKGQVFRTSEPJT-UHFFFAOYSA-N Synonym: pyrrole-2-carboxaldehyde,2-formylpyrrole,1h-pyrrole-2-carboxaldehyde,pyrrole-2-aldehyde,2-pyrrolecarboxaldehyde,pyrrole-2-carbaldehyde,2-pyrrolecarbaldehyde,2-pyrrolylcarboxaldehyde,2-pyrrolaldehyde,alpha-pyrrolaldehyde PubChem CID: 13854 ChEBI: CHEBI:59978 IUPAC Name: 1H-pyrrole-2-carbaldehyde SMILES: C1=CNC(=C1)C=O

PubChem CID 13854
CAS 1003-29-8
Molecular Weight (g/mol) 95.1
ChEBI CHEBI:59978
MDL Number MFCD00005217
SMILES C1=CNC(=C1)C=O
Synonym pyrrole-2-carboxaldehyde,2-formylpyrrole,1h-pyrrole-2-carboxaldehyde,pyrrole-2-aldehyde,2-pyrrolecarboxaldehyde,pyrrole-2-carbaldehyde,2-pyrrolecarbaldehyde,2-pyrrolylcarboxaldehyde,2-pyrrolaldehyde,alpha-pyrrolaldehyde
IUPAC Name 1H-pyrrole-2-carbaldehyde
InChI Key ZSKGQVFRTSEPJT-UHFFFAOYSA-N
Molecular Formula C5H5NO
5

2-Bromothiophene-3-carbaldehyde, 97%, Thermo Scientific™

CAS: 1860-99-7 Molecular Formula: C5H3BrOS Molecular Weight (g/mol): 191.042 MDL Number: MFCD09025880 InChI Key: MMEGVQIGIBCTHI-UHFFFAOYSA-N PubChem CID: 12245921 IUPAC Name: 2-bromothiophene-3-carbaldehyde SMILES: C1=CSC(=C1C=O)Br

PubChem CID 12245921
CAS 1860-99-7
Molecular Weight (g/mol) 191.042
MDL Number MFCD09025880
SMILES C1=CSC(=C1C=O)Br
IUPAC Name 2-bromothiophene-3-carbaldehyde
InChI Key MMEGVQIGIBCTHI-UHFFFAOYSA-N
Molecular Formula C5H3BrOS
6

5-Thio-D-glucose, 97+%, Thermo Scientific Chemicals

CAS: 20408-97-3 Molecular Formula: C6H12O5S Molecular Weight (g/mol): 196.217 MDL Number: MFCD00006663 InChI Key: IJJLRUSZMLMXCN-SLPGGIOYSA-N Synonym: 5-thio-d-glucose,d-glucose, 5-thio,alpha-d-glucothiopyranose,2r,3r,4s,5r-2,3,4,6-tetrahydroxy-5-mercaptohexanal,unii-3prv1384uo,5-thio-alpha-d-glucopyranose,glucose, 5-thio-, d,2r,3r,4s,5r-2,3,4,6-tetrahydroxy-5-sulfanylhexanal PubChem CID: 88527 IUPAC Name: (2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal SMILES: C(C(C(C(C(C=O)O)O)O)S)O

PubChem CID 88527
CAS 20408-97-3
Molecular Weight (g/mol) 196.217
MDL Number MFCD00006663
SMILES C(C(C(C(C(C=O)O)O)O)S)O
Synonym 5-thio-d-glucose,d-glucose, 5-thio,alpha-d-glucothiopyranose,2r,3r,4s,5r-2,3,4,6-tetrahydroxy-5-mercaptohexanal,unii-3prv1384uo,5-thio-alpha-d-glucopyranose,glucose, 5-thio-, d,2r,3r,4s,5r-2,3,4,6-tetrahydroxy-5-sulfanylhexanal
IUPAC Name (2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal
InChI Key IJJLRUSZMLMXCN-SLPGGIOYSA-N
Molecular Formula C6H12O5S
7

1,3-Benzothiazole-2-carbaldehyde, Thermo Scientific™

CAS: 6639-57-2 Molecular Formula: C8H5NOS Molecular Weight (g/mol): 163.194 MDL Number: MFCD00526215 InChI Key: RHKPJTFLRQNNGJ-UHFFFAOYSA-N Synonym: 2-benzothiazolecarboxaldehyde,benzothiazole-2-carbaldehyde,benzothiazole-2-carboxaldehyde,benzo d thiazole-2-carbaldehyde,1,3-benzothiazole-2-carboxaldehyde,2-formylbenzothiazole,zlchem 104,benzothiazolecarbaldehyde,pubchem14482,2-benzothiazolecarbaldehyde PubChem CID: 241608 IUPAC Name: 1,3-benzothiazole-2-carbaldehyde SMILES: C1=CC=C2C(=C1)N=C(S2)C=O

PubChem CID 241608
CAS 6639-57-2
Molecular Weight (g/mol) 163.194
MDL Number MFCD00526215
SMILES C1=CC=C2C(=C1)N=C(S2)C=O
Synonym 2-benzothiazolecarboxaldehyde,benzothiazole-2-carbaldehyde,benzothiazole-2-carboxaldehyde,benzo d thiazole-2-carbaldehyde,1,3-benzothiazole-2-carboxaldehyde,2-formylbenzothiazole,zlchem 104,benzothiazolecarbaldehyde,pubchem14482,2-benzothiazolecarbaldehyde
IUPAC Name 1,3-benzothiazole-2-carbaldehyde
InChI Key RHKPJTFLRQNNGJ-UHFFFAOYSA-N
Molecular Formula C8H5NOS
8

1-Methyl-1H-pyrazole-4-carboxaldehyde, 96%

CAS: 25016-11-9 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.116 MDL Number: MFCD00460465 InChI Key: MYFZXSOYJVWTBL-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrazole-4-carbaldehyde,1-methyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde, 1-methyl,4-formyl-1-methylpyrazole,4-formyl-1-methyl-1h-pyrazole,1-methylpyrazole-4-carboxaldehyde,1-methylpyrazole-4-carboxyaldehyde,1-methyl-1h-pyrazol-4-carbaldehyd,1-methylpyrazole-4-aldehyde,acmc-1cs06 PubChem CID: 573117 IUPAC Name: 1-methylpyrazole-4-carbaldehyde SMILES: CN1C=C(C=N1)C=O

PubChem CID 573117
CAS 25016-11-9
Molecular Weight (g/mol) 110.116
MDL Number MFCD00460465
SMILES CN1C=C(C=N1)C=O
Synonym 1-methyl-1h-pyrazole-4-carbaldehyde,1-methyl-1h-pyrazole-4-carboxaldehyde,1h-pyrazole-4-carboxaldehyde, 1-methyl,4-formyl-1-methylpyrazole,4-formyl-1-methyl-1h-pyrazole,1-methylpyrazole-4-carboxaldehyde,1-methylpyrazole-4-carboxyaldehyde,1-methyl-1h-pyrazol-4-carbaldehyd,1-methylpyrazole-4-aldehyde,acmc-1cs06
IUPAC Name 1-methylpyrazole-4-carbaldehyde
InChI Key MYFZXSOYJVWTBL-UHFFFAOYSA-N
Molecular Formula C5H6N2O
9

cis-4-Heptenal, 96%

CAS: 6728-31-0 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00014682 InChI Key: VVGOCOMZRGWHPI-ARJAWSKDSA-N Synonym: cis-4-heptenal,cis-4-hepten-1-al,z-hept-4-enal,z-4-heptenal,4-heptenal, z,z-4-hepten-1-al,hept-cis-4-enal,unii-5bj99wwp64,4-z-heptenal,hept-4 z-enal PubChem CID: 5362814 IUPAC Name: (Z)-hept-4-enal SMILES: CCC=CCCC=O

PubChem CID 5362814
CAS 6728-31-0
Molecular Weight (g/mol) 112.17
MDL Number MFCD00014682
SMILES CCC=CCCC=O
Synonym cis-4-heptenal,cis-4-hepten-1-al,z-hept-4-enal,z-4-heptenal,4-heptenal, z,z-4-hepten-1-al,hept-cis-4-enal,unii-5bj99wwp64,4-z-heptenal,hept-4 z-enal
IUPAC Name (Z)-hept-4-enal
InChI Key VVGOCOMZRGWHPI-ARJAWSKDSA-N
Molecular Formula C7H12O
10

D-(+)-Maltose Monohydrate, ≥92% (Dry Basis), Ultrapure

CAS: 6363-53-7 Molecular Formula: C12H22O11·H2O Molecular Weight (g/mol): 360.31 MDL Number: MFCD00149343 InChI Key: HBDJFVFTHLOSDW-UHFFFAOYNA-N Synonym: d-+-maltose monohydrate,unii-dm477ee40d,2 r,3 r,4 r,5 r-2,3,5,6-tetrahydroxy-4-2 r,3 r,4 s,5 s,6 r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra IUPAC Name: 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O

CAS 6363-53-7
Molecular Weight (g/mol) 360.31
MDL Number MFCD00149343
SMILES O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O
Synonym d-+-maltose monohydrate,unii-dm477ee40d,2 r,3 r,4 r,5 r-2,3,5,6-tetrahydroxy-4-2 r,3 r,4 s,5 s,6 r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra
IUPAC Name 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate
InChI Key HBDJFVFTHLOSDW-UHFFFAOYNA-N
Molecular Formula C12H22O11·H2O
11

5-Methyl-2-furaldehyde, 98%

CAS: 620-02-0 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.112 MDL Number: MFCD00003232 InChI Key: OUDFNZMQXZILJD-UHFFFAOYSA-N Synonym: 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 IUPAC Name: 5-methylfuran-2-carbaldehyde SMILES: CC1=CC=C(O1)C=O

PubChem CID 12097
CAS 620-02-0
Molecular Weight (g/mol) 110.112
ChEBI CHEBI:2091
MDL Number MFCD00003232
SMILES CC1=CC=C(O1)C=O
Synonym 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
IUPAC Name 5-methylfuran-2-carbaldehyde
InChI Key OUDFNZMQXZILJD-UHFFFAOYSA-N
Molecular Formula C6H6O2
12

2-Fluoro-4-hydroxybenzaldehyde, 97%

CAS: 348-27-6 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 MDL Number: MFCD06797918 InChI Key: ONRPXRPUBXXCCM-UHFFFAOYSA-N Synonym: 2-fluoro-4-hydroxy-benzaldehyde,benzaldehyde, 2-fluoro-4-hydroxy,pubchem1442,acmc-1act5,ksc497m4n,# PubChem CID: 587246 IUPAC Name: 2-fluoro-4-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1O)F)C=O

PubChem CID 587246
CAS 348-27-6
Molecular Weight (g/mol) 140.113
MDL Number MFCD06797918
SMILES C1=CC(=C(C=C1O)F)C=O
Synonym 2-fluoro-4-hydroxy-benzaldehyde,benzaldehyde, 2-fluoro-4-hydroxy,pubchem1442,acmc-1act5,ksc497m4n,#
IUPAC Name 2-fluoro-4-hydroxybenzaldehyde
InChI Key ONRPXRPUBXXCCM-UHFFFAOYSA-N
Molecular Formula C7H5FO2
13

Undecanal, 97%

CAS: 112-44-7 Molecular Formula: C11H22O Molecular Weight (g/mol): 170.296 MDL Number: MFCD00007016 InChI Key: KMPQYAYAQWNLME-UHFFFAOYSA-N Synonym: undecanaldehyde,n-undecanal,undecyl aldehyde,undecylic aldehyde,1-undecanal,undecylaldehyde,hendecanal,hendecanaldehyde,aldehyde c-11,n-undecyl aldehyde PubChem CID: 8186 ChEBI: CHEBI:46202 IUPAC Name: undecanal SMILES: CCCCCCCCCCC=O

PubChem CID 8186
CAS 112-44-7
Molecular Weight (g/mol) 170.296
ChEBI CHEBI:46202
MDL Number MFCD00007016
SMILES CCCCCCCCCCC=O
Synonym undecanaldehyde,n-undecanal,undecyl aldehyde,undecylic aldehyde,1-undecanal,undecylaldehyde,hendecanal,hendecanaldehyde,aldehyde c-11,n-undecyl aldehyde
IUPAC Name undecanal
InChI Key KMPQYAYAQWNLME-UHFFFAOYSA-N
Molecular Formula C11H22O
14

3-Allylsalicylaldehyde, 97%

CAS: 24019-66-7 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00037364 InChI Key: INLWEXRRMUMHKB-UHFFFAOYSA-N Synonym: 3-allyl-2-hydroxybenzaldehyde,3-allylsalicylaldehyde,3-allyl-2-hydroxy-benzaldehyde,benzaldehyde, 2-hydroxy-3-2-propenyl,salicylaldehyde, 3-allyl,2-hydroxy-3-prop-2-en-1-yl benzaldehyde,acmc-209wev,tpc-sk001,2-hydroxy-3-allylbenzaldehyde PubChem CID: 141062 IUPAC Name: 2-hydroxy-3-prop-2-enylbenzaldehyde SMILES: C=CCC1=CC=CC(=C1O)C=O

PubChem CID 141062
CAS 24019-66-7
Molecular Weight (g/mol) 162.188
MDL Number MFCD00037364
SMILES C=CCC1=CC=CC(=C1O)C=O
Synonym 3-allyl-2-hydroxybenzaldehyde,3-allylsalicylaldehyde,3-allyl-2-hydroxy-benzaldehyde,benzaldehyde, 2-hydroxy-3-2-propenyl,salicylaldehyde, 3-allyl,2-hydroxy-3-prop-2-en-1-yl benzaldehyde,acmc-209wev,tpc-sk001,2-hydroxy-3-allylbenzaldehyde
IUPAC Name 2-hydroxy-3-prop-2-enylbenzaldehyde
InChI Key INLWEXRRMUMHKB-UHFFFAOYSA-N
Molecular Formula C10H10O2
15

cis-4-Decenal, 95%

CAS: 21662-09-9 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00007024 InChI Key: CWRKZMLUDFBPAO-VOTSOKGWSA-N Synonym: trans-4-decen-1-al,trans-4-decenal,e-4-decenal,e-dec-4-enal,4-decenal, e,4-decenal,unii-kz74b5801j,4-decene-1-al,dec-4-enal,fema no. 3264 PubChem CID: 5702654 IUPAC Name: (E)-dec-4-enal SMILES: CCCCCC=CCCC=O

PubChem CID 5702654
CAS 21662-09-9
Molecular Weight (g/mol) 154.253
MDL Number MFCD00007024
SMILES CCCCCC=CCCC=O
Synonym trans-4-decen-1-al,trans-4-decenal,e-4-decenal,e-dec-4-enal,4-decenal, e,4-decenal,unii-kz74b5801j,4-decene-1-al,dec-4-enal,fema no. 3264
IUPAC Name (E)-dec-4-enal
InChI Key CWRKZMLUDFBPAO-VOTSOKGWSA-N
Molecular Formula C10H18O