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Alpha beta-unsaturated carbonyl compounds

Organic compounds consisting of an alkene (carbon - carbon double bond) adjacent to a ketone functional group; also known as an enone.

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1

2-Methyl-2-pentenal, (E)+(Z), 97%

CAS: 623-36-9 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00006978 InChI Key: IDEYZABHVQLHAF-GQCTYLIASA-N Synonym: 2-methyl-2-pentenal,2-pentenal, 2-methyl,e-2-methyl-2-pentenal,2-methyl-3-ethylacrolein,2-methyl-2-penten-1-al,2-methyl-2-pentene-1-al,2,4-dimethylcrotonaldehyde,trans-2-methyl-2-pentenal,e-2-methylpent-2-enal,unii-98qag1u530 PubChem CID: 5319754 IUPAC Name: (E)-2-methylpent-2-enal SMILES: CCC=C(C)C=O

PubChem CID 5319754
CAS 623-36-9
Molecular Weight (g/mol) 98.145
MDL Number MFCD00006978
SMILES CCC=C(C)C=O
Synonym 2-methyl-2-pentenal,2-pentenal, 2-methyl,e-2-methyl-2-pentenal,2-methyl-3-ethylacrolein,2-methyl-2-penten-1-al,2-methyl-2-pentene-1-al,2,4-dimethylcrotonaldehyde,trans-2-methyl-2-pentenal,e-2-methylpent-2-enal,unii-98qag1u530
IUPAC Name (E)-2-methylpent-2-enal
InChI Key IDEYZABHVQLHAF-GQCTYLIASA-N
Molecular Formula C6H10O
2

trans-2-Pentenal, 96%

CAS: 1576-87-0 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00009615 InChI Key: DTCCTIQRPGSLPT-ONEGZZNKSA-N Synonym: trans-2-pentenal,2-pentenal,e-2-pentenal,e-pent-2-enal,3-ethylacrolein,pent-2-enal,2-pentenal, e,2-e-pentenal,3-ethyl-2-propenal,e-pent-2-en-1-al PubChem CID: 5364752 IUPAC Name: (E)-pent-2-enal SMILES: CCC=CC=O

PubChem CID 5364752
CAS 1576-87-0
Molecular Weight (g/mol) 84.118
MDL Number MFCD00009615
SMILES CCC=CC=O
Synonym trans-2-pentenal,2-pentenal,e-2-pentenal,e-pent-2-enal,3-ethylacrolein,pent-2-enal,2-pentenal, e,2-e-pentenal,3-ethyl-2-propenal,e-pent-2-en-1-al
IUPAC Name (E)-pent-2-enal
InChI Key DTCCTIQRPGSLPT-ONEGZZNKSA-N
Molecular Formula C5H8O
3

trans-2-Pentenal, 97%

CAS: 1576-87-0 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00009615 InChI Key: DTCCTIQRPGSLPT-ONEGZZNKSA-N Synonym: trans-2-pentenal,2-pentenal,e-2-pentenal,e-pent-2-enal,3-ethylacrolein,pent-2-enal,2-pentenal, e,2-e-pentenal,3-ethyl-2-propenal,e-pent-2-en-1-al PubChem CID: 5364752 IUPAC Name: (E)-pent-2-enal SMILES: CCC=CC=O

PubChem CID 5364752
CAS 1576-87-0
Molecular Weight (g/mol) 84.12
MDL Number MFCD00009615
SMILES CCC=CC=O
Synonym trans-2-pentenal,2-pentenal,e-2-pentenal,e-pent-2-enal,3-ethylacrolein,pent-2-enal,2-pentenal, e,2-e-pentenal,3-ethyl-2-propenal,e-pent-2-en-1-al
IUPAC Name (E)-pent-2-enal
InChI Key DTCCTIQRPGSLPT-ONEGZZNKSA-N
Molecular Formula C5H8O
4

3-Amino-2-methylacrylaldehyde, 97%, Thermo Scientific™

CAS: 30989-81-2 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.106 MDL Number: MFCD01566866 InChI Key: OEZAAXHZEMTBOV-DUXPYHPUSA-N Synonym: 3-amino-2-methylacrylaldehyde,3-amino-2-methylacrolein,2e-3-amino-2-methylprop-2-enal,amino-alpha-methylacrolein,e-3-amino-2-methylprop-2-enal,3-amino-2-methyl acrylaldehyde,2-propenal, 3-amino-2-methyl-, e PubChem CID: 637539 IUPAC Name: (E)-3-amino-2-methylprop-2-enal SMILES: CC(=CN)C=O

PubChem CID 637539
CAS 30989-81-2
Molecular Weight (g/mol) 85.106
MDL Number MFCD01566866
SMILES CC(=CN)C=O
Synonym 3-amino-2-methylacrylaldehyde,3-amino-2-methylacrolein,2e-3-amino-2-methylprop-2-enal,amino-alpha-methylacrolein,e-3-amino-2-methylprop-2-enal,3-amino-2-methyl acrylaldehyde,2-propenal, 3-amino-2-methyl-, e
IUPAC Name (E)-3-amino-2-methylprop-2-enal
InChI Key OEZAAXHZEMTBOV-DUXPYHPUSA-N
Molecular Formula C4H7NO
5

3-Hepten-2-one, 95%

CAS: 1119-44-4 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00015564 InChI Key: JHHZQADGLDKIPM-AATRIKPKSA-N Synonym: 3-hepten-2-one,butylideneacetone,e-hept-3-en-2-one,3e-3-hepten-2-one,methyl pentenyl ketone,e-3-hepten-2-one,3-hepten-2-one, e,unii-tk02t5fjdo,tk02t5fjdo,3e-hept-3-en-2-one PubChem CID: 5364578 SMILES: CCC\C=C\C(C)=O

PubChem CID 5364578
CAS 1119-44-4
Molecular Weight (g/mol) 112.17
MDL Number MFCD00015564
SMILES CCC\C=C\C(C)=O
Synonym 3-hepten-2-one,butylideneacetone,e-hept-3-en-2-one,3e-3-hepten-2-one,methyl pentenyl ketone,e-3-hepten-2-one,3-hepten-2-one, e,unii-tk02t5fjdo,tk02t5fjdo,3e-hept-3-en-2-one
InChI Key JHHZQADGLDKIPM-AATRIKPKSA-N
Molecular Formula C7H12O
6

3-Octen-2-one, 97%

CAS: 1669-44-9 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00015565 InChI Key: ZCFOBLITZWHNNC-VOTSOKGWSA-N Synonym: 3-octen-2-one,trans-3-octen-2-one,e-3-octen-2-one,3e-3-octen-2-one,e-oct-3-en-2-one,unii-m26ah283xv,3-octen-2-one, e,3e-octen-2-one,3e-oct-3-en-2-one,hex-1-enyl methyl ketone PubChem CID: 5363229 IUPAC Name: (E)-oct-3-en-2-one SMILES: CCCCC=CC(=O)C

PubChem CID 5363229
CAS 1669-44-9
Molecular Weight (g/mol) 126.199
MDL Number MFCD00015565
SMILES CCCCC=CC(=O)C
Synonym 3-octen-2-one,trans-3-octen-2-one,e-3-octen-2-one,3e-3-octen-2-one,e-oct-3-en-2-one,unii-m26ah283xv,3-octen-2-one, e,3e-octen-2-one,3e-oct-3-en-2-one,hex-1-enyl methyl ketone
IUPAC Name (E)-oct-3-en-2-one
InChI Key ZCFOBLITZWHNNC-VOTSOKGWSA-N
Molecular Formula C8H14O
7

6-Methyl-3,5-heptadien-2-one, 97%

CAS: 1604-28-0 Molecular Formula: C8H12O Molecular Weight (g/mol): 124.183 MDL Number: MFCD00043647 InChI Key: KSKXSFZGARKWOW-GQCTYLIASA-N Synonym: 6-methyl-3,5-heptadien-2-one,6-methylhepta-3,5-dien-2-one,methylheptadienone,unii-p7cmp2e76c,3,5-heptadien-2-one, 6-methyl,3e-6-methylhepta-3,5-dien-2-one,3,5-heptadien-2-one, 6-methyl-, e,6-methyl-trans-3,5-heptadien-2-one,p7cmp2e76c,fema no. 3363 PubChem CID: 5370101 IUPAC Name: (3E)-6-methylhepta-3,5-dien-2-one SMILES: CC(=CC=CC(=O)C)C

PubChem CID 5370101
CAS 1604-28-0
Molecular Weight (g/mol) 124.183
MDL Number MFCD00043647
SMILES CC(=CC=CC(=O)C)C
Synonym 6-methyl-3,5-heptadien-2-one,6-methylhepta-3,5-dien-2-one,methylheptadienone,unii-p7cmp2e76c,3,5-heptadien-2-one, 6-methyl,3e-6-methylhepta-3,5-dien-2-one,3,5-heptadien-2-one, 6-methyl-, e,6-methyl-trans-3,5-heptadien-2-one,p7cmp2e76c,fema no. 3363
IUPAC Name (3E)-6-methylhepta-3,5-dien-2-one
InChI Key KSKXSFZGARKWOW-GQCTYLIASA-N
Molecular Formula C8H12O
8
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trans-2-Methyl-2-butenal, 98%

CAS: 497-03-0 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00006977 InChI Key: ACWQBUSCFPJUPN-HWKANZROSA-N Synonym: tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e PubChem CID: 5321950 IUPAC Name: (E)-2-methylbut-2-enal SMILES: CC=C(C)C=O

PubChem CID 5321950
CAS 497-03-0
Molecular Weight (g/mol) 84.12
MDL Number MFCD00006977
SMILES CC=C(C)C=O
Synonym tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e
IUPAC Name (E)-2-methylbut-2-enal
InChI Key ACWQBUSCFPJUPN-HWKANZROSA-N
Molecular Formula C5H8O
9

trans-2-Methyl-2-butenal, 97%

CAS: 497-03-0 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00006977 InChI Key: ACWQBUSCFPJUPN-HWKANZROSA-N Synonym: tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e PubChem CID: 5321950 IUPAC Name: (E)-2-methylbut-2-enal SMILES: CC=C(C)C=O

PubChem CID 5321950
CAS 497-03-0
Molecular Weight (g/mol) 84.118
MDL Number MFCD00006977
SMILES CC=C(C)C=O
Synonym tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e
IUPAC Name (E)-2-methylbut-2-enal
InChI Key ACWQBUSCFPJUPN-HWKANZROSA-N
Molecular Formula C5H8O
10

2,4-Dichlorobenzylideneacetone, 97%

CAS: 61888-78-6 Molecular Formula: C10H8Cl2O Molecular Weight (g/mol): 215.073 MDL Number: MFCD00052852 InChI Key: SAEQHTBHPNKKRX-NSCUHMNNSA-N Synonym: 2,4-dichlorobenzylideneacetone,4-2,4-dichlorophenyl-3-buten-2-one,e-4-2,4-dichlorophenyl but-3-en-2-one,3e-4-2,4-dichlorophenyl but-3-en-2-one,e-4-2,4-dichloro-phenyl-but-3-en-2-one,4-2,4-dichlorophenyl-3-butene-2-one PubChem CID: 5849647 IUPAC Name: (E)-4-(2,4-dichlorophenyl)but-3-en-2-one SMILES: CC(=O)C=CC1=C(C=C(C=C1)Cl)Cl

PubChem CID 5849647
CAS 61888-78-6
Molecular Weight (g/mol) 215.073
MDL Number MFCD00052852
SMILES CC(=O)C=CC1=C(C=C(C=C1)Cl)Cl
Synonym 2,4-dichlorobenzylideneacetone,4-2,4-dichlorophenyl-3-buten-2-one,e-4-2,4-dichlorophenyl but-3-en-2-one,3e-4-2,4-dichlorophenyl but-3-en-2-one,e-4-2,4-dichloro-phenyl-but-3-en-2-one,4-2,4-dichlorophenyl-3-butene-2-one
IUPAC Name (E)-4-(2,4-dichlorophenyl)but-3-en-2-one
InChI Key SAEQHTBHPNKKRX-NSCUHMNNSA-N
Molecular Formula C10H8Cl2O
11

4-(Dimethylamino)-1,1-dimethoxybut-3-en-2-one, 97%, Thermo Scientific™

CAS: 67751-23-9 Molecular Formula: C8H15NO3 Molecular Weight (g/mol): 173.212 InChI Key: DFZIBCAWOSFLFR-AATRIKPKSA-N Synonym: 4-dimethylamino-1,1-dimethoxybut-3-en-2-one,e-4-dimethylamino-1,1-dimethoxybut-3-en-2-one,1,1-dimethoxy-4-dimethylaminobut-3-en-2-one,1e-4,4-dimethoxy-3-oxobut-1-en-1-yl dimethylamine,3e-4-dimethylamino-1,1-dimethoxybut-3-en-2-one,e-1,1-dimethoxy-4-dimethylaminobut-3-en-2-one,hcvl@nbfryyuffjjafp,e-4-dimethylamino-1,1-dimethoxy-but-3-en-2,4-dimethylamino-1,1-dimethoxy-3-butene-2-one,e-4-dimethylamino-1,1-dimethoxy-but-3-en-2-one PubChem CID: 5709580 IUPAC Name: (E)-4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one SMILES: CN(C)C=CC(=O)C(OC)OC

PubChem CID 5709580
CAS 67751-23-9
Molecular Weight (g/mol) 173.212
SMILES CN(C)C=CC(=O)C(OC)OC
Synonym 4-dimethylamino-1,1-dimethoxybut-3-en-2-one,e-4-dimethylamino-1,1-dimethoxybut-3-en-2-one,1,1-dimethoxy-4-dimethylaminobut-3-en-2-one,1e-4,4-dimethoxy-3-oxobut-1-en-1-yl dimethylamine,3e-4-dimethylamino-1,1-dimethoxybut-3-en-2-one,e-1,1-dimethoxy-4-dimethylaminobut-3-en-2-one,hcvl@nbfryyuffjjafp,e-4-dimethylamino-1,1-dimethoxy-but-3-en-2,4-dimethylamino-1,1-dimethoxy-3-butene-2-one,e-4-dimethylamino-1,1-dimethoxy-but-3-en-2-one
IUPAC Name (E)-4-(dimethylamino)-1,1-dimethoxybut-3-en-2-one
InChI Key DFZIBCAWOSFLFR-AATRIKPKSA-N
Molecular Formula C8H15NO3
12

beta-Ionone, 96%

CAS: 79-77-6 Molecular Formula: C13H20O Molecular Weight (g/mol): 192.302 MDL Number: MFCD00001549 InChI Key: PSQYTAPXSHCGMF-BQYQJAHWSA-N Synonym: beta-ionone,trans-beta-ionone,e-beta-ionone,4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,.beta.-ionone,3e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,4-2,6,6-trimethyl-1-cyclohexenyl-3-buten-2-one,unii-a7nrr1hlh6,e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,beta-e-ionone PubChem CID: 638014 ChEBI: CHEBI:32325 IUPAC Name: (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one SMILES: CC1=C(C(CCC1)(C)C)C=CC(=O)C

PubChem CID 638014
CAS 79-77-6
Molecular Weight (g/mol) 192.302
ChEBI CHEBI:32325
MDL Number MFCD00001549
SMILES CC1=C(C(CCC1)(C)C)C=CC(=O)C
Synonym beta-ionone,trans-beta-ionone,e-beta-ionone,4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,.beta.-ionone,3e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,4-2,6,6-trimethyl-1-cyclohexenyl-3-buten-2-one,unii-a7nrr1hlh6,e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,beta-e-ionone
IUPAC Name (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
InChI Key PSQYTAPXSHCGMF-BQYQJAHWSA-N
Molecular Formula C13H20O
13

alpha-Ionone, 90+%

CAS: 127-41-3 Molecular Formula: C13H20O Molecular Weight (g/mol): 192.30 MDL Number: MFCD00001565 InChI Key: UZFLPKAIBPNNCA-BQYQJAHWNA-N Synonym: alpha-ionone,iraldeine,e-alpha-ionone,irisone,alpha-ionon,trans-alpha-ionone,alpha-e-ionone,alpha-ionone natural,beta-lonone,ionone, alpha PubChem CID: 5282108 ChEBI: CHEBI:32319 IUPAC Name: (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one SMILES: CC(=O)\C=C\C1C(C)=CCCC1(C)C

PubChem CID 5282108
CAS 127-41-3
Molecular Weight (g/mol) 192.30
ChEBI CHEBI:32319
MDL Number MFCD00001565
SMILES CC(=O)\C=C\C1C(C)=CCCC1(C)C
Synonym alpha-ionone,iraldeine,e-alpha-ionone,irisone,alpha-ionon,trans-alpha-ionone,alpha-e-ionone,alpha-ionone natural,beta-lonone,ionone, alpha
IUPAC Name (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
InChI Key UZFLPKAIBPNNCA-BQYQJAHWNA-N
Molecular Formula C13H20O
14

3-Nonen-2-one, 96%

CAS: 14309-57-0 Molecular Formula: C9H16O Molecular Weight (g/mol): 140.23 MDL Number: MFCD00010241 InChI Key: HDKLIZDXVUCLHQ-BQYQJAHWSA-N Synonym: 3-nonen-2-one,trans-3-nonen-2-one,e-non-3-en-2-one,e-3-nonen-2-one,3-nonen-2-one, 3e,3e-3-nonen-2-one,3e-non-3-en-2-one,unii-fr0k39of16,3e-nonen-2-one,3-nonen-2-one fhfi PubChem CID: 5317045 SMILES: CCCCC\C=C\C(C)=O

PubChem CID 5317045
CAS 14309-57-0
Molecular Weight (g/mol) 140.23
MDL Number MFCD00010241
SMILES CCCCC\C=C\C(C)=O
Synonym 3-nonen-2-one,trans-3-nonen-2-one,e-non-3-en-2-one,e-3-nonen-2-one,3-nonen-2-one, 3e,3e-3-nonen-2-one,3e-non-3-en-2-one,unii-fr0k39of16,3e-nonen-2-one,3-nonen-2-one fhfi
InChI Key HDKLIZDXVUCLHQ-BQYQJAHWSA-N
Molecular Formula C9H16O
15

Ethyl trans-4-oxo-2-butenoate, 96%

CAS: 2960-66-9 Molecular Formula: C6H8O3 Molecular Weight (g/mol): 128.127 MDL Number: MFCD00236170 InChI Key: SDGAEBKMHIPSAC-ONEGZZNKSA-N Synonym: ethyl trans-4-oxo-2-butenoate,ethyl 4-oxobut-2-enoate,e-ethyl 4-oxobut-2-enoate,ethyl e-4-oxobut-2-enoate,ethyl 2e-4-oxobut-2-enoate,e-4-oxo-but-2-enoic acid ethyl ester,2-butenoic acid, 4-oxo-, ethyl ester, 2e,ethyl fumaraldehydate,ethyl 3-formylacrylate,ethyl-e-4-oxobutenoate PubChem CID: 7019541 IUPAC Name: ethyl (E)-4-oxobut-2-enoate SMILES: CCOC(=O)C=CC=O

PubChem CID 7019541
CAS 2960-66-9
Molecular Weight (g/mol) 128.127
MDL Number MFCD00236170
SMILES CCOC(=O)C=CC=O
Synonym ethyl trans-4-oxo-2-butenoate,ethyl 4-oxobut-2-enoate,e-ethyl 4-oxobut-2-enoate,ethyl e-4-oxobut-2-enoate,ethyl 2e-4-oxobut-2-enoate,e-4-oxo-but-2-enoic acid ethyl ester,2-butenoic acid, 4-oxo-, ethyl ester, 2e,ethyl fumaraldehydate,ethyl 3-formylacrylate,ethyl-e-4-oxobutenoate
IUPAC Name ethyl (E)-4-oxobut-2-enoate
InChI Key SDGAEBKMHIPSAC-ONEGZZNKSA-N
Molecular Formula C6H8O3