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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.
Complex Ketones (21)
Dicarbonyl Compounds (13)
Complex Aldehydes (12)

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N-benzyl

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1 – 15 of 22 results
1

Benzyl ethyl malonate, tech. 85%

CAS: 42998-51-6 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00009194 InChI Key: CGNOCUSLPSCMLL-UHFFFAOYSA-N Synonym: benzyl ethyl malonate,benzylethyl malonate,malonic acid benzyl ethyl ester,ethyl benzylmalonate,acmc-20alpf,1-benzyl 3-ethyl malonate #,ethyl phenylmethyl propanedioate,1-benzyl 3-ethyl propanedioate,malonic acid 1-benzyl 3-ethyl ester,ethyl phenylmethyl propane-1,3-dioate PubChem CID: 562228 SMILES: CCOC(=O)CC(=O)OCC1=CC=CC=C1

PubChem CID 562228
CAS 42998-51-6
Molecular Weight (g/mol) 222.24
MDL Number MFCD00009194
SMILES CCOC(=O)CC(=O)OCC1=CC=CC=C1
Synonym benzyl ethyl malonate,benzylethyl malonate,malonic acid benzyl ethyl ester,ethyl benzylmalonate,acmc-20alpf,1-benzyl 3-ethyl malonate #,ethyl phenylmethyl propanedioate,1-benzyl 3-ethyl propanedioate,malonic acid 1-benzyl 3-ethyl ester,ethyl phenylmethyl propane-1,3-dioate
InChI Key CGNOCUSLPSCMLL-UHFFFAOYSA-N
Molecular Formula C12H14O4
2

Benzyl acetoacetate, 97%

CAS: 5396-89-4 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00008785 InChI Key: WOFAGNLBCJWEOE-UHFFFAOYSA-N Synonym: benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x PubChem CID: 142266 IUPAC Name: benzyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC1=CC=CC=C1

PubChem CID 142266
CAS 5396-89-4
Molecular Weight (g/mol) 192.214
MDL Number MFCD00008785
SMILES CC(=O)CC(=O)OCC1=CC=CC=C1
Synonym benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x
IUPAC Name benzyl 3-oxobutanoate
InChI Key WOFAGNLBCJWEOE-UHFFFAOYSA-N
Molecular Formula C11H12O3
3

Benzyl methyl malonate, 95%

CAS: 52267-39-7 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.21 MDL Number: MFCD00008461 InChI Key: IAUZDBFOEWAQFE-UHFFFAOYSA-N Synonym: benzyl methyl malonate,1-benzyl 3-methyl propanedioate,malonic acid 1-benzyl 3-methyl ester,propanedioic acid, methyl phenylmethyl ester,benzylmethyl malonate,methyl benzyl malonate,acmc-1b0zd,benzyl methyl propanedioate,ksc493e1f PubChem CID: 572135 IUPAC Name: 3-O-benzyl 1-O-methyl propanedioate SMILES: COC(=O)CC(=O)OCC1=CC=CC=C1

PubChem CID 572135
CAS 52267-39-7
Molecular Weight (g/mol) 208.21
MDL Number MFCD00008461
SMILES COC(=O)CC(=O)OCC1=CC=CC=C1
Synonym benzyl methyl malonate,1-benzyl 3-methyl propanedioate,malonic acid 1-benzyl 3-methyl ester,propanedioic acid, methyl phenylmethyl ester,benzylmethyl malonate,methyl benzyl malonate,acmc-1b0zd,benzyl methyl propanedioate,ksc493e1f
IUPAC Name 3-O-benzyl 1-O-methyl propanedioate
InChI Key IAUZDBFOEWAQFE-UHFFFAOYSA-N
Molecular Formula C11H12O4
4

Benzyl tert-butyl malonate, 95%

CAS: 72594-86-6 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD01075175 InChI Key: XKXXXODAXXAFNP-UHFFFAOYSA-N Synonym: benzyl tert-butyl malonate,benzyltert-butylmalonate,tert-butyl benzyl malonate,1-benzyl 3-tert-butyl propanedioate,tert-butyl 2-benzyloxycarbonyl acetate,propanedioic acid, 1,1-dimethylethyl phenylmethyl ester,tert-butyl phenylmethyl propane-1,3-dioate,pubchem3938,t-butyl benzyl malonate,ksc493q0n PubChem CID: 2736712 IUPAC Name: 1-O-benzyl 3-O-tert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OCC1=CC=CC=C1

PubChem CID 2736712
CAS 72594-86-6
Molecular Weight (g/mol) 250.294
MDL Number MFCD01075175
SMILES CC(C)(C)OC(=O)CC(=O)OCC1=CC=CC=C1
Synonym benzyl tert-butyl malonate,benzyltert-butylmalonate,tert-butyl benzyl malonate,1-benzyl 3-tert-butyl propanedioate,tert-butyl 2-benzyloxycarbonyl acetate,propanedioic acid, 1,1-dimethylethyl phenylmethyl ester,tert-butyl phenylmethyl propane-1,3-dioate,pubchem3938,t-butyl benzyl malonate,ksc493q0n
IUPAC Name 1-O-benzyl 3-O-tert-butyl propanedioate
InChI Key XKXXXODAXXAFNP-UHFFFAOYSA-N
Molecular Formula C14H18O4
6

Diethyl benzylmalonate, 97%

CAS: 607-81-8 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD00009166 InChI Key: ICZLTZWATFXDLP-UHFFFAOYSA-N Synonym: diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate PubChem CID: 69090 IUPAC Name: diethyl 2-benzylpropanedioate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC

PubChem CID 69090
CAS 607-81-8
Molecular Weight (g/mol) 250.294
MDL Number MFCD00009166
SMILES CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC
Synonym diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate
IUPAC Name diethyl 2-benzylpropanedioate
InChI Key ICZLTZWATFXDLP-UHFFFAOYSA-N
Molecular Formula C14H18O4
7

Deoxybenzoin, 97%

CAS: 451-40-1 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00003081 InChI Key: OTKCEEWUXHVZQI-UHFFFAOYSA-N Synonym: 2-phenylacetophenone,deoxybenzoin,benzyl phenyl ketone,ethanone, 1,2-diphenyl,desoxybenzoin,1,2-diphenylethan-1-one,phenyl benzyl ketone,benzoin, deoxy,acetophenone, 2-phenyl,deoxy benzoin PubChem CID: 9948 IUPAC Name: 1,2-diphenylethanone SMILES: O=C(CC1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 9948
CAS 451-40-1
Molecular Weight (g/mol) 196.25
MDL Number MFCD00003081
SMILES O=C(CC1=CC=CC=C1)C1=CC=CC=C1
Synonym 2-phenylacetophenone,deoxybenzoin,benzyl phenyl ketone,ethanone, 1,2-diphenyl,desoxybenzoin,1,2-diphenylethan-1-one,phenyl benzyl ketone,benzoin, deoxy,acetophenone, 2-phenyl,deoxy benzoin
IUPAC Name 1,2-diphenylethanone
InChI Key OTKCEEWUXHVZQI-UHFFFAOYSA-N
Molecular Formula C14H12O
8

Benzyl 4-chlorophenyl ketone, 98%

CAS: 1889-71-0 Molecular Formula: C14H11ClO Molecular Weight (g/mol): 230.69 MDL Number: MFCD00016342 InChI Key: DXVALSKCLLBZEB-UHFFFAOYSA-N Synonym: benzyl 4-chlorophenyl ketone,1-4-chlorophenyl-2-phenylethanone,4'-chloro-2-phenylacetophenone,4-chlorodeoxybenzoin,1-4-chlorophenyl-2-phenylethan-1-one,1-4-chlorophenyl-2-phenyl-ethanone,4-chlorodesoxy benzoin,chlorodeoxybenzoin,deoxy-4-chlorobenzoin,acmc-20a6by PubChem CID: 233840 IUPAC Name: 1-(4-chlorophenyl)-2-phenylethanone SMILES: ClC1=CC=C(C=C1)C(=O)CC1=CC=CC=C1

PubChem CID 233840
CAS 1889-71-0
Molecular Weight (g/mol) 230.69
MDL Number MFCD00016342
SMILES ClC1=CC=C(C=C1)C(=O)CC1=CC=CC=C1
Synonym benzyl 4-chlorophenyl ketone,1-4-chlorophenyl-2-phenylethanone,4'-chloro-2-phenylacetophenone,4-chlorodeoxybenzoin,1-4-chlorophenyl-2-phenylethan-1-one,1-4-chlorophenyl-2-phenyl-ethanone,4-chlorodesoxy benzoin,chlorodeoxybenzoin,deoxy-4-chlorobenzoin,acmc-20a6by
IUPAC Name 1-(4-chlorophenyl)-2-phenylethanone
InChI Key DXVALSKCLLBZEB-UHFFFAOYSA-N
Molecular Formula C14H11ClO
9
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Deoxybenzoin, 97%

CAS: 451-40-1 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00003081 InChI Key: OTKCEEWUXHVZQI-UHFFFAOYSA-N Synonym: 2-phenylacetophenone,deoxybenzoin,benzyl phenyl ketone,ethanone, 1,2-diphenyl,desoxybenzoin,1,2-diphenylethan-1-one,phenyl benzyl ketone,benzoin, deoxy,acetophenone, 2-phenyl,deoxy benzoin PubChem CID: 9948 IUPAC Name: 1,2-diphenylethanone SMILES: O=C(CC1=CC=CC=C1)C1=CC=CC=C1

PubChem CID 9948
CAS 451-40-1
Molecular Weight (g/mol) 196.25
MDL Number MFCD00003081
SMILES O=C(CC1=CC=CC=C1)C1=CC=CC=C1
Synonym 2-phenylacetophenone,deoxybenzoin,benzyl phenyl ketone,ethanone, 1,2-diphenyl,desoxybenzoin,1,2-diphenylethan-1-one,phenyl benzyl ketone,benzoin, deoxy,acetophenone, 2-phenyl,deoxy benzoin
IUPAC Name 1,2-diphenylethanone
InChI Key OTKCEEWUXHVZQI-UHFFFAOYSA-N
Molecular Formula C14H12O
10

Benzyl 4-bromophenyl ketone, 98%

CAS: 2001-29-8 Molecular Formula: C14H11BrO Molecular Weight (g/mol): 275.145 MDL Number: MFCD00016331 InChI Key: MOSIKPSTRPODHQ-UHFFFAOYSA-N Synonym: benzyl 4-bromophenyl ketone,1-4-bromophenyl-2-phenylethanone,4'-bromo-2-phenylacetophenone,4-bromodeoxybenzoin,4-bromodesoxybenzoin,1-4-bromophenyl-2-phenyl-ethanone,ethanone, 1-4-bromophenyl-2-phenyl,1-4-bromophenyl-2-phenylethan-1-one,acmc-1chtj PubChem CID: 519738 IUPAC Name: 1-(4-bromophenyl)-2-phenylethanone SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Br

PubChem CID 519738
CAS 2001-29-8
Molecular Weight (g/mol) 275.145
MDL Number MFCD00016331
SMILES C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Br
Synonym benzyl 4-bromophenyl ketone,1-4-bromophenyl-2-phenylethanone,4'-bromo-2-phenylacetophenone,4-bromodeoxybenzoin,4-bromodesoxybenzoin,1-4-bromophenyl-2-phenyl-ethanone,ethanone, 1-4-bromophenyl-2-phenyl,1-4-bromophenyl-2-phenylethan-1-one,acmc-1chtj
IUPAC Name 1-(4-bromophenyl)-2-phenylethanone
InChI Key MOSIKPSTRPODHQ-UHFFFAOYSA-N
Molecular Formula C14H11BrO
11

2-Benzyloxybenzaldehyde, 98%

CAS: 5896-17-3 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00016583 InChI Key: PBEJTRAJWCNHRS-UHFFFAOYSA-N Synonym: 2-benzyloxy benzaldehyde,2-benzyloxybenzaldehyde,benzaldehyde, 2-phenylmethoxy,o-benzyloxy benzaldehyde,benzaldehyde, o-benzyloxy,o-benzylsalicylaldehyde,2-benzyl-oxy benzaldehyde,2-phenylmethoxy benzaldehyde,benzyloxybenzaldehyde,o-benzyloxybenzaldehyde PubChem CID: 344784 IUPAC Name: 2-phenylmethoxybenzaldehyde SMILES: O=CC1=CC=CC=C1OCC1=CC=CC=C1

PubChem CID 344784
CAS 5896-17-3
Molecular Weight (g/mol) 212.25
MDL Number MFCD00016583
SMILES O=CC1=CC=CC=C1OCC1=CC=CC=C1
Synonym 2-benzyloxy benzaldehyde,2-benzyloxybenzaldehyde,benzaldehyde, 2-phenylmethoxy,o-benzyloxy benzaldehyde,benzaldehyde, o-benzyloxy,o-benzylsalicylaldehyde,2-benzyl-oxy benzaldehyde,2-phenylmethoxy benzaldehyde,benzyloxybenzaldehyde,o-benzyloxybenzaldehyde
IUPAC Name 2-phenylmethoxybenzaldehyde
InChI Key PBEJTRAJWCNHRS-UHFFFAOYSA-N
Molecular Formula C14H12O2
12

1,1,1-Trifluoro-3-phenylacetone, 97%

CAS: 350-92-5 Molecular Formula: C9H7F3O Molecular Weight (g/mol): 188.149 MDL Number: MFCD00068171 InChI Key: IAJKTOIWQHTZOS-UHFFFAOYSA-N Synonym: 3-phenyl-1,1,1-trifluoropropan-2-one,1,1,1-trifluoro-3-phenylacetone,1,1,1-trifluoro-3-phenyl-2-propanone,1,1,1-trifluoro-3-phenyl-propan-2-one,2-propanone, 1,1,1-trifluoro-3-phenyl,acmc-20amz1,trifluoromethylbenzyl ketone,benzyl trifluoromethyl ketone,trifluoromethyl benzyl ketone,ksc227m3d PubChem CID: 222958 IUPAC Name: 1,1,1-trifluoro-3-phenylpropan-2-one SMILES: C1=CC=C(C=C1)CC(=O)C(F)(F)F

PubChem CID 222958
CAS 350-92-5
Molecular Weight (g/mol) 188.149
MDL Number MFCD00068171
SMILES C1=CC=C(C=C1)CC(=O)C(F)(F)F
Synonym 3-phenyl-1,1,1-trifluoropropan-2-one,1,1,1-trifluoro-3-phenylacetone,1,1,1-trifluoro-3-phenyl-2-propanone,1,1,1-trifluoro-3-phenyl-propan-2-one,2-propanone, 1,1,1-trifluoro-3-phenyl,acmc-20amz1,trifluoromethylbenzyl ketone,benzyl trifluoromethyl ketone,trifluoromethyl benzyl ketone,ksc227m3d
IUPAC Name 1,1,1-trifluoro-3-phenylpropan-2-one
InChI Key IAJKTOIWQHTZOS-UHFFFAOYSA-N
Molecular Formula C9H7F3O
13

Benzyl 4-bromophenyl ketone, Thermo Scientific Chemicals

CAS: 2001-29-8 Molecular Formula: C14H11BrO Molecular Weight (g/mol): 275.14 MDL Number: MFCD00016331 InChI Key: MOSIKPSTRPODHQ-UHFFFAOYSA-N Synonym: benzyl 4-bromophenyl ketone,1-4-bromophenyl-2-phenylethanone,4'-bromo-2-phenylacetophenone,4-bromodeoxybenzoin,4-bromodesoxybenzoin,1-4-bromophenyl-2-phenyl-ethanone,ethanone, 1-4-bromophenyl-2-phenyl,1-4-bromophenyl-2-phenylethan-1-one,acmc-1chtj PubChem CID: 519738 IUPAC Name: 1-(4-bromophenyl)-2-phenylethanone SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Br

PubChem CID 519738
CAS 2001-29-8
Molecular Weight (g/mol) 275.14
MDL Number MFCD00016331
SMILES C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Br
Synonym benzyl 4-bromophenyl ketone,1-4-bromophenyl-2-phenylethanone,4'-bromo-2-phenylacetophenone,4-bromodeoxybenzoin,4-bromodesoxybenzoin,1-4-bromophenyl-2-phenyl-ethanone,ethanone, 1-4-bromophenyl-2-phenyl,1-4-bromophenyl-2-phenylethan-1-one,acmc-1chtj
IUPAC Name 1-(4-bromophenyl)-2-phenylethanone
InChI Key MOSIKPSTRPODHQ-UHFFFAOYSA-N
Molecular Formula C14H11BrO
14

Benzyl 4-hydroxyphenyl ketone, 97%

CAS: 2491-32-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00002360 InChI Key: JBQTZLNCDIFCCO-UHFFFAOYSA-N Synonym: benzyl 4-hydroxyphenyl ketone,1-4-hydroxyphenyl-2-phenylethanone,4-hydroxydeoxybenzoin,acetophenone, 4'-hydroxy-2-phenyl,1-4-hydroxyphenyl-2-phenylethan-1-one,ethanone, 1-4-hydroxyphenyl-2-phenyl,acmc-20alpm,4-hydroxydesoxybenzoin,p-phenylacetyl phenol,maybridge3_000426 PubChem CID: 75607 IUPAC Name: 1-(4-hydroxyphenyl)-2-phenylethanone SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O

PubChem CID 75607
CAS 2491-32-9
Molecular Weight (g/mol) 212.25
MDL Number MFCD00002360
SMILES C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O
Synonym benzyl 4-hydroxyphenyl ketone,1-4-hydroxyphenyl-2-phenylethanone,4-hydroxydeoxybenzoin,acetophenone, 4'-hydroxy-2-phenyl,1-4-hydroxyphenyl-2-phenylethan-1-one,ethanone, 1-4-hydroxyphenyl-2-phenyl,acmc-20alpm,4-hydroxydesoxybenzoin,p-phenylacetyl phenol,maybridge3_000426
IUPAC Name 1-(4-hydroxyphenyl)-2-phenylethanone
InChI Key JBQTZLNCDIFCCO-UHFFFAOYSA-N
Molecular Formula C14H12O2
15

3,5-Difluoro-4-hydroxybenzaldehyde, 97%

CAS: 118276-06-5 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD06797917 InChI Key: SKOYTQILPMNZQO-UHFFFAOYSA-N Synonym: 3,5-difluoro-4-hydroxy-benzaldehyde,4-hydroxy-3,5-difluorobenzaldehyde,benzaldehyde, 3,5-difluoro-4-hydroxy,pubchem17015,acmc-1c2v9,ksc495m7b,benzaldehyde, 3,5-difluoro-4-hydroxy-9ci,s-3-hydroxy-1-hydroxymethylpropyl carbamic acid benzyl ester PubChem CID: 10192584 IUPAC Name: 3,5-difluoro-4-hydroxybenzaldehyde SMILES: C1=C(C=C(C(=C1F)O)F)C=O

PubChem CID 10192584
CAS 118276-06-5
Molecular Weight (g/mol) 158.104
MDL Number MFCD06797917
SMILES C1=C(C=C(C(=C1F)O)F)C=O
Synonym 3,5-difluoro-4-hydroxy-benzaldehyde,4-hydroxy-3,5-difluorobenzaldehyde,benzaldehyde, 3,5-difluoro-4-hydroxy,pubchem17015,acmc-1c2v9,ksc495m7b,benzaldehyde, 3,5-difluoro-4-hydroxy-9ci,s-3-hydroxy-1-hydroxymethylpropyl carbamic acid benzyl ester
IUPAC Name 3,5-difluoro-4-hydroxybenzaldehyde
InChI Key SKOYTQILPMNZQO-UHFFFAOYSA-N
Molecular Formula C7H4F2O2