Alpha beta-unsaturated carbonyl compounds

Alpha beta-unsaturated carbonyl compounds
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beta-Ionone, 96%, synthetic
CAS: 14901-07-6 Formule moléculaire: C13H20O Poids moléculaire (g/mol): 192.30 Numéro MDL: MFCD00001549 Clé InChI: PSQYTAPXSHCGMF-BQYQJAHWSA-N Synonyme: 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 CID PubChem: 638014 ChEBI: CHEBI:32325 Nom IUPAC: (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one SMILES: CC(=O)\C=C\C1=C(C)CCCC1(C)C
Poids moléculaire (g/mol) | 192.30 |
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Synonyme | 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 |
Numéro MDL | MFCD00001549 |
CAS | 14901-07-6 |
CID PubChem | 638014 |
ChEBI | CHEBI:32325 |
Nom IUPAC | (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one |
Clé InChI | PSQYTAPXSHCGMF-BQYQJAHWSA-N |
SMILES | CC(=O)\C=C\C1=C(C)CCCC1(C)C |
Formule moléculaire | C13H20O |
Crotonaldehyde, predominantly trans, 98+%
CAS: 4170-30-3 Formule moléculaire: C4H6O Poids moléculaire (g/mol): 70.091 Numéro MDL: MFCD00007003 Clé InChI: MLUCVPSAIODCQM-NSCUHMNNSA-N Synonyme: crotonaldehyde,2-butenal,crotylaldehyde,crotonal,2e-but-2-enal,trans-crotonaldehyde,e-crotonaldehyde,crotonic aldehyde,1-formylpropene,trans-2-butenal CID PubChem: 447466 ChEBI: CHEBI:41607 Nom IUPAC: (E)-but-2-enal SMILES: CC=CC=O
Poids moléculaire (g/mol) | 70.091 |
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Synonyme | crotonaldehyde,2-butenal,crotylaldehyde,crotonal,2e-but-2-enal,trans-crotonaldehyde,e-crotonaldehyde,crotonic aldehyde,1-formylpropene,trans-2-butenal |
Numéro MDL | MFCD00007003 |
CAS | 4170-30-3 |
CID PubChem | 447466 |
ChEBI | CHEBI:41607 |
Nom IUPAC | (E)-but-2-enal |
Clé InChI | MLUCVPSAIODCQM-NSCUHMNNSA-N |
SMILES | CC=CC=O |
Formule moléculaire | C4H6O |
2-Methyl-3-butyn-2-ol, 98%
CAS: 115-19-5 Formule moléculaire: C5H8O Poids moléculaire (g/mol): 84.118 Numéro MDL: MFCD00004467 Clé InChI: CEBKHWWANWSNTI-UHFFFAOYSA-N Synonyme: 2-methyl-3-butyn-2-ol,3-butyn-2-ol, 2-methyl,3-methyl-1-butyn-3-ol,3-methylbutynol,2-methyl-2-butynol,ethynyldimethylcarbinol,carbavane,dimethylethynylcarbinol,dimethylethynylmethanol,1,1-dimethyl-2-propynol CID PubChem: 8258 Nom IUPAC: 2-methylbut-3-yn-2-ol SMILES: CC(C)(C#C)O
Poids moléculaire (g/mol) | 84.118 |
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Synonyme | 2-methyl-3-butyn-2-ol,3-butyn-2-ol, 2-methyl,3-methyl-1-butyn-3-ol,3-methylbutynol,2-methyl-2-butynol,ethynyldimethylcarbinol,carbavane,dimethylethynylcarbinol,dimethylethynylmethanol,1,1-dimethyl-2-propynol |
Numéro MDL | MFCD00004467 |
CAS | 115-19-5 |
CID PubChem | 8258 |
Nom IUPAC | 2-methylbut-3-yn-2-ol |
Clé InChI | CEBKHWWANWSNTI-UHFFFAOYSA-N |
SMILES | CC(C)(C#C)O |
Formule moléculaire | C5H8O |
alpha-Ionone, 90+%
CAS: 127-41-3 Formule moléculaire: C13H20O Poids moléculaire (g/mol): 192.30 Numéro MDL: MFCD00001565 Clé InChI: UZFLPKAIBPNNCA-BQYQJAHWNA-N Synonyme: alpha-ionone,iraldeine,e-alpha-ionone,irisone,alpha-ionon,trans-alpha-ionone,alpha-e-ionone,alpha-ionone natural,beta-lonone,ionone, alpha CID PubChem: 5282108 ChEBI: CHEBI:32319 Nom IUPAC: (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
Poids moléculaire (g/mol) | 192.30 |
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Synonyme | alpha-ionone,iraldeine,e-alpha-ionone,irisone,alpha-ionon,trans-alpha-ionone,alpha-e-ionone,alpha-ionone natural,beta-lonone,ionone, alpha |
Numéro MDL | MFCD00001565 |
CAS | 127-41-3 |
CID PubChem | 5282108 |
ChEBI | CHEBI:32319 |
Nom IUPAC | (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one |
Clé InChI | UZFLPKAIBPNNCA-BQYQJAHWNA-N |
SMILES | CC(=O)\C=C\C1C(C)=CCCC1(C)C |
Formule moléculaire | C13H20O |
Mesityl Oxide, Certified Reference Material, MilliporeSigma™ Supelco™
Pharmaceutical secondary standards for application in quality control. Provides pharma laboratories and manufacturers with a convenient, and cost-effective alternative to the preparation of in-house working standards.
2-Methyl-2-pentenal, (E)+(Z), 97%
CAS: 623-36-9 Formule moléculaire: C6H10O Poids moléculaire (g/mol): 98.145 Numéro MDL: MFCD00006978 Clé InChI: IDEYZABHVQLHAF-GQCTYLIASA-N Synonyme: 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 CID PubChem: 5319754 Nom IUPAC: (E)-2-methylpent-2-enal SMILES: CCC=C(C)C=O
Poids moléculaire (g/mol) | 98.145 |
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Synonyme | 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 |
Numéro MDL | MFCD00006978 |
CAS | 623-36-9 |
CID PubChem | 5319754 |
Nom IUPAC | (E)-2-methylpent-2-enal |
Clé InChI | IDEYZABHVQLHAF-GQCTYLIASA-N |
SMILES | CCC=C(C)C=O |
Formule moléculaire | C6H10O |
Manganese(II) 2,4-pentanedionate
CAS: 14024-58-9 Formule moléculaire: C10H14MnO4 Poids moléculaire (g/mol): 253.16 Numéro MDL: MFCD00000022 MFCD09998212 Clé InChI: ZQZQURFYFJBOCE-FDGPNNRMSA-L Synonyme: bis 4-hydroxypent-3-en-2-one dihydrate manganese CID PubChem: 54669727 Nom IUPAC: (Z)-4-hydroxypent-3-en-2-one;manganese;dihydrate SMILES: [Mn++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
Poids moléculaire (g/mol) | 253.16 |
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Synonyme | bis 4-hydroxypent-3-en-2-one dihydrate manganese |
Numéro MDL | MFCD00000022 MFCD09998212 |
CAS | 14024-58-9 |
CID PubChem | 54669727 |
Nom IUPAC | (Z)-4-hydroxypent-3-en-2-one;manganese;dihydrate |
Clé InChI | ZQZQURFYFJBOCE-FDGPNNRMSA-L |
SMILES | [Mn++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
Formule moléculaire | C10H14MnO4 |
Ethyl 2-acetyl-3-(dimethylamino)acrylate, 95%, Thermo Scientific Chemicals
CAS: 51145-57-4 Formule moléculaire: C9H15NO3 Poids moléculaire (g/mol): 185.223 Numéro MDL: MFCD00087563 Clé InChI: LQSOVGAUOHMPLK-SOFGYWHQSA-N CID PubChem: 2763877 Nom IUPAC: ethyl (2E)-2-(dimethylaminomethylidene)-3-oxobutanoate SMILES: CCOC(=O)C(=CN(C)C)C(=O)C
Poids moléculaire (g/mol) | 185.223 |
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Numéro MDL | MFCD00087563 |
CAS | 51145-57-4 |
CID PubChem | 2763877 |
Nom IUPAC | ethyl (2E)-2-(dimethylaminomethylidene)-3-oxobutanoate |
Clé InChI | LQSOVGAUOHMPLK-SOFGYWHQSA-N |
SMILES | CCOC(=O)C(=CN(C)C)C(=O)C |
Formule moléculaire | C9H15NO3 |
Chromium(III) 2,4-pentanedionate, 97%
CAS: 21679-31-2 Formule moléculaire: C15H21CrO6 Poids moléculaire (g/mol): 349.32 Numéro MDL: MFCD00000015 MFCD00000015 Clé InChI: JWORPXLMBPOPPU-LNTINUHCSA-K Synonyme: chromium iii acetylacetonate,dsstox_cid_30421,dsstox_gsid_51863 CID PubChem: 91759531 Nom IUPAC: chromium;(Z)-4-oxoniumylidenepent-2-en-2-olate SMILES: [Cr+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
Poids moléculaire (g/mol) | 349.32 |
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Synonyme | chromium iii acetylacetonate,dsstox_cid_30421,dsstox_gsid_51863 |
Numéro MDL | MFCD00000015 MFCD00000015 |
CAS | 21679-31-2 |
CID PubChem | 91759531 |
Nom IUPAC | chromium;(Z)-4-oxoniumylidenepent-2-en-2-olate |
Clé InChI | JWORPXLMBPOPPU-LNTINUHCSA-K |
SMILES | [Cr+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
Formule moléculaire | C15H21CrO6 |
Ytterbium(III) 2,4-pentanedionate, REacton™, 99.9% (REO)
CAS: 14284-98-1 Formule moléculaire: C15H21O6Yb Poids moléculaire (g/mol): 470.37 Numéro MDL: MFCD00013508 Clé InChI: JKJCKIFLFXFUKJ-UHFFFAOYSA-N Synonyme: ytterbium-2,4-pentanedionate,ytterbium acetyl acetonate CID PubChem: 14455610 Nom IUPAC: (Z)-4-oxopent-2-en-2-olate;ytterbium(3+) SMILES: [Yb+3].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O
Poids moléculaire (g/mol) | 470.37 |
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Synonyme | ytterbium-2,4-pentanedionate,ytterbium acetyl acetonate |
Numéro MDL | MFCD00013508 |
CAS | 14284-98-1 |
CID PubChem | 14455610 |
Nom IUPAC | (Z)-4-oxopent-2-en-2-olate;ytterbium(3+) |
Clé InChI | JKJCKIFLFXFUKJ-UHFFFAOYSA-N |
SMILES | [Yb+3].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O |
Formule moléculaire | C15H21O6Yb |
2,4-Dichlorobenzylideneacetone, 97%
CAS: 61888-78-6 Formule moléculaire: C10H8Cl2O Poids moléculaire (g/mol): 215.073 Numéro MDL: MFCD00052852 Clé InChI: SAEQHTBHPNKKRX-NSCUHMNNSA-N Synonyme: 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 CID PubChem: 5849647 Nom IUPAC: (E)-4-(2,4-dichlorophenyl)but-3-en-2-one SMILES: CC(=O)C=CC1=C(C=C(C=C1)Cl)Cl
Poids moléculaire (g/mol) | 215.073 |
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Synonyme | 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 |
Numéro MDL | MFCD00052852 |
CAS | 61888-78-6 |
CID PubChem | 5849647 |
Nom IUPAC | (E)-4-(2,4-dichlorophenyl)but-3-en-2-one |
Clé InChI | SAEQHTBHPNKKRX-NSCUHMNNSA-N |
SMILES | CC(=O)C=CC1=C(C=C(C=C1)Cl)Cl |
Formule moléculaire | C10H8Cl2O |
Ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate, 97%
CAS: 571-55-1 Formule moléculaire: C9H11F3O4 Poids moléculaire (g/mol): 240.178 Numéro MDL: MFCD02677683 Clé InChI: XNGGOXOLHQANRB-AATRIKPKSA-N Synonyme: ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate,e-ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate,ethyl 2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl ethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2e-3-ethoxy-2-2,2,2-trifluoroacetyl prop-2-enoate,2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester CID PubChem: 6185754 Nom IUPAC: ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate SMILES: CCOC=C(C(=O)C(F)(F)F)C(=O)OCC
Poids moléculaire (g/mol) | 240.178 |
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Synonyme | ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate,e-ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate,ethyl 2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl ethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2e-3-ethoxy-2-2,2,2-trifluoroacetyl prop-2-enoate,2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester |
Numéro MDL | MFCD02677683 |
CAS | 571-55-1 |
CID PubChem | 6185754 |
Nom IUPAC | ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate |
Clé InChI | XNGGOXOLHQANRB-AATRIKPKSA-N |
SMILES | CCOC=C(C(=O)C(F)(F)F)C(=O)OCC |
Formule moléculaire | C9H11F3O4 |
4-Hexen-3-one, 98%, trans-isomer >95%
CAS: 2497-21-4 Formule moléculaire: C6H10O Poids moléculaire (g/mol): 98.15 Numéro MDL: MFCD00010631 Clé InChI: FEWIGMWODIRUJM-HYXAFXHYSA-N Synonyme: 4-hexen-3-one,2-hexen-4-one,2-hexene-4-one,e-hex-4-en-3-one,4-hexene-3-one,fema no. 3352,e-4-hexen-3-one,4-hexen-3-one, predominantly trans,e-ch3ch=chc =o c2h5,trans-4-hexen-3-one CID PubChem: 5365811 Nom IUPAC: (4Z)-hex-4-en-3-one SMILES: CCC(=O)\C=C/C
Poids moléculaire (g/mol) | 98.15 |
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Synonyme | 4-hexen-3-one,2-hexen-4-one,2-hexene-4-one,e-hex-4-en-3-one,4-hexene-3-one,fema no. 3352,e-4-hexen-3-one,4-hexen-3-one, predominantly trans,e-ch3ch=chc =o c2h5,trans-4-hexen-3-one |
Numéro MDL | MFCD00010631 |
CAS | 2497-21-4 |
CID PubChem | 5365811 |
Nom IUPAC | (4Z)-hex-4-en-3-one |
Clé InChI | FEWIGMWODIRUJM-HYXAFXHYSA-N |
SMILES | CCC(=O)\C=C/C |
Formule moléculaire | C6H10O |
4-Phenyl-3-butyn-2-one, 96%
CAS: 1817-57-8 Formule moléculaire: C10H8O Poids moléculaire (g/mol): 144.173 Numéro MDL: MFCD00008776 Clé InChI: UPEUQDJSUFHFQP-UHFFFAOYSA-N Synonyme: 4-phenyl-3-butyn-2-one,3-butyn-2-one, 4-phenyl,1-phenyl-1-butyn-3-one,phenylbutynone,acetylphenyl-acetylene,acmc-1boyr,4-phenyl-3-butyn-2-on,4-phenyl-3-batyu-2-one,4-phenyl-3-butyn-2-0ne,4-phenyl-but-3-yn-2-one CID PubChem: 74555 ChEBI: CHEBI:51731 Nom IUPAC: 4-phenylbut-3-yn-2-one SMILES: CC(=O)C#CC1=CC=CC=C1
Poids moléculaire (g/mol) | 144.173 |
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Synonyme | 4-phenyl-3-butyn-2-one,3-butyn-2-one, 4-phenyl,1-phenyl-1-butyn-3-one,phenylbutynone,acetylphenyl-acetylene,acmc-1boyr,4-phenyl-3-butyn-2-on,4-phenyl-3-batyu-2-one,4-phenyl-3-butyn-2-0ne,4-phenyl-but-3-yn-2-one |
Numéro MDL | MFCD00008776 |
CAS | 1817-57-8 |
CID PubChem | 74555 |
ChEBI | CHEBI:51731 |
Nom IUPAC | 4-phenylbut-3-yn-2-one |
Clé InChI | UPEUQDJSUFHFQP-UHFFFAOYSA-N |
SMILES | CC(=O)C#CC1=CC=CC=C1 |
Formule moléculaire | C10H8O |
3-Nonen-2-one, 96%
CAS: 14309-57-0 Formule moléculaire: C9H16O Poids moléculaire (g/mol): 140.23 Numéro MDL: MFCD00010241 Clé InChI: HDKLIZDXVUCLHQ-BQYQJAHWSA-N Synonyme: 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 CID PubChem: 5317045 SMILES: CCCCC\C=C\C(C)=O
Poids moléculaire (g/mol) | 140.23 |
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Synonyme | 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 |
Numéro MDL | MFCD00010241 |
CAS | 14309-57-0 |
CID PubChem | 5317045 |
Clé InChI | HDKLIZDXVUCLHQ-BQYQJAHWSA-N |
SMILES | CCCCC\C=C\C(C)=O |
Formule moléculaire | C9H16O |