Organooxygen compounds
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trans-2-Nonenal (contains trans-2-Nonenal Diethyl Acetal) (ca. 10% in Ethanol, ca. 0.57mol/L), TCI America™
CAS: 18829-56-6 Molecular Formula: C9H16O Molecular Weight (g/mol): 140.226 MDL Number: MFCD00007012 InChI Key: BSAIUMLZVGUGKX-BQYQJAHWSA-N Synonym: trans-2-nonenal,2-nonenal,e-2-nonenal,e-non-2-enal,3-hexylacrolein,2-nonenal, 2e,beta-hexylacrolein,2-nonenal, e,heptylideneacetaldehyde,alpha-nonenyl aldehyde PubChem CID: 5283335 IUPAC Name: (E)-non-2-enal SMILES: CCCCCCC=CC=O
| PubChem CID | 5283335 |
|---|---|
| CAS | 18829-56-6 |
| Molecular Weight (g/mol) | 140.226 |
| MDL Number | MFCD00007012 |
| SMILES | CCCCCCC=CC=O |
| Synonym | trans-2-nonenal,2-nonenal,e-2-nonenal,e-non-2-enal,3-hexylacrolein,2-nonenal, 2e,beta-hexylacrolein,2-nonenal, e,heptylideneacetaldehyde,alpha-nonenyl aldehyde |
| IUPAC Name | (E)-non-2-enal |
| InChI Key | BSAIUMLZVGUGKX-BQYQJAHWSA-N |
| Molecular Formula | C9H16O |
Diethyl Butylmalonate 99.0+%, TCI America™
CAS: 133-08-4 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.28 MDL Number: MFCD00009170 InChI Key: RPNFNBGRHCUORR-UHFFFAOYSA-N Synonym: diethyl butylmalonate,diethyl n-butylmalonate,butylmalonic acid diethyl ester,diethyl 2-butylmalonate,ethyl butylmalonate,propanedioic acid, butyl-, diethyl ester,unii-cyy2q744wb,cyy2q744wb,n-butylmalonic acid diethyl ester,malonic acid, butyl-, diethyl ester PubChem CID: 67244 IUPAC Name: 1,3-diethyl 2-butylpropanedioate SMILES: CCCCC(C(=O)OCC)C(=O)OCC
| PubChem CID | 67244 |
|---|---|
| CAS | 133-08-4 |
| Molecular Weight (g/mol) | 216.28 |
| MDL Number | MFCD00009170 |
| SMILES | CCCCC(C(=O)OCC)C(=O)OCC |
| Synonym | diethyl butylmalonate,diethyl n-butylmalonate,butylmalonic acid diethyl ester,diethyl 2-butylmalonate,ethyl butylmalonate,propanedioic acid, butyl-, diethyl ester,unii-cyy2q744wb,cyy2q744wb,n-butylmalonic acid diethyl ester,malonic acid, butyl-, diethyl ester |
| IUPAC Name | 1,3-diethyl 2-butylpropanedioate |
| InChI Key | RPNFNBGRHCUORR-UHFFFAOYSA-N |
| Molecular Formula | C11H20O4 |
Ethyl trans-4-Hydroxycyclohexanecarboxylate 98.0+%, TCI America™
CAS: 3618-04-0 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 InChI Key: BZKQJSLASWRDNE-UHFFFAOYSA-N Synonym: trans-4-Hydroxycyclohexanecarboxylic Acid Ethyl Ester PubChem CID: 86973 IUPAC Name: ethyl 4-hydroxycyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCC(CC1)O
| PubChem CID | 86973 |
|---|---|
| CAS | 3618-04-0 |
| Molecular Weight (g/mol) | 172.224 |
| SMILES | CCOC(=O)C1CCC(CC1)O |
| Synonym | trans-4-Hydroxycyclohexanecarboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 4-hydroxycyclohexane-1-carboxylate |
| InChI Key | BZKQJSLASWRDNE-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
2-Chloro-3',4'-difluoroacetophenone 98.0+%, TCI America™
CAS: 51336-95-9 Molecular Formula: C8H5ClF2O Molecular Weight (g/mol): 190.574 MDL Number: MFCD03966888 InChI Key: VMEDAWUIKFAFJQ-UHFFFAOYSA-N PubChem CID: 2392321 IUPAC Name: 2-chloro-1-(3,4-difluorophenyl)ethanone SMILES: C1=CC(=C(C=C1C(=O)CCl)F)F
| PubChem CID | 2392321 |
|---|---|
| CAS | 51336-95-9 |
| Molecular Weight (g/mol) | 190.574 |
| MDL Number | MFCD03966888 |
| SMILES | C1=CC(=C(C=C1C(=O)CCl)F)F |
| IUPAC Name | 2-chloro-1-(3,4-difluorophenyl)ethanone |
| InChI Key | VMEDAWUIKFAFJQ-UHFFFAOYSA-N |
| Molecular Formula | C8H5ClF2O |
2',4'-Dihydroxypropiophenone 98.0+%, TCI America™
CAS: 5792-36-9 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002280 InChI Key: LLBBBYLDTDJMNU-UHFFFAOYSA-N Synonym: 2',4'-dihydroxypropiophenone,1-2,4-dihydroxyphenyl propan-1-one,2,4-dihydroxypropiophenone,4-propionylresorcinol,1-propanone, 1-2,4-dihydroxyphenyl,respropiophenone,resorcinol fragment, 9,acmc-209m1c,2',4'-dihydroxy-propiophenone,2/',4/'-dihydroxypropiophenone PubChem CID: 79856 IUPAC Name: 1-(2,4-dihydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=C(C=C(C=C1)O)O
| PubChem CID | 79856 |
|---|---|
| CAS | 5792-36-9 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00002280 |
| SMILES | CCC(=O)C1=C(C=C(C=C1)O)O |
| Synonym | 2',4'-dihydroxypropiophenone,1-2,4-dihydroxyphenyl propan-1-one,2,4-dihydroxypropiophenone,4-propionylresorcinol,1-propanone, 1-2,4-dihydroxyphenyl,respropiophenone,resorcinol fragment, 9,acmc-209m1c,2',4'-dihydroxy-propiophenone,2/',4/'-dihydroxypropiophenone |
| IUPAC Name | 1-(2,4-dihydroxyphenyl)propan-1-one |
| InChI Key | LLBBBYLDTDJMNU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Tetradecanophenone 98.0+%, TCI America™
CAS: 4497-05-6 Molecular Formula: C20H32O Molecular Weight (g/mol): 288.48 MDL Number: MFCD00008985 InChI Key: LXUIUVLDNRQBQJ-UHFFFAOYSA-N Synonym: Myristophenone, Phenyl Tridecyl Ketone PubChem CID: 78248 IUPAC Name: 1-phenyltetradecan-1-one SMILES: CCCCCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 78248 |
|---|---|
| CAS | 4497-05-6 |
| Molecular Weight (g/mol) | 288.48 |
| MDL Number | MFCD00008985 |
| SMILES | CCCCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | Myristophenone, Phenyl Tridecyl Ketone |
| IUPAC Name | 1-phenyltetradecan-1-one |
| InChI Key | LXUIUVLDNRQBQJ-UHFFFAOYSA-N |
| Molecular Formula | C20H32O |
Methyl 2-Chloroacetoacetate 95.0+%, TCI America™
CAS: 4755-81-1 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.558 MDL Number: MFCD00008757 InChI Key: GYQRIAVRKLRQKP-UHFFFAOYSA-N PubChem CID: 107332 IUPAC Name: methyl 2-chloro-3-oxobutanoate SMILES: CC(=O)C(C(=O)OC)Cl
| PubChem CID | 107332 |
|---|---|
| CAS | 4755-81-1 |
| Molecular Weight (g/mol) | 150.558 |
| MDL Number | MFCD00008757 |
| SMILES | CC(=O)C(C(=O)OC)Cl |
| IUPAC Name | methyl 2-chloro-3-oxobutanoate |
| InChI Key | GYQRIAVRKLRQKP-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
6-Methoxypurine 98.0+%, TCI America™
CAS: 1074-89-1 Molecular Formula: C6H6N4O Molecular Weight (g/mol): 150.14 MDL Number: MFCD00127913 InChI Key: GOILPRCCOREWQE-UHFFFAOYSA-N Synonym: 6-methoxypurine,6-methoxy-9h-purine,1h-purine, 6-methoxy,o-methylhypoxanthine,purine, 6-methoxy,1h-purine, 6-methoxy-9ci,6-methoxy-1h-purine,6-methoxy purine,6-methoxypu-rine,6-methoxypurine 99+% PubChem CID: 70632 IUPAC Name: 6-methoxy-7H-purine SMILES: COC1=C2NC=NC2=NC=N1
| PubChem CID | 70632 |
|---|---|
| CAS | 1074-89-1 |
| Molecular Weight (g/mol) | 150.14 |
| MDL Number | MFCD00127913 |
| SMILES | COC1=C2NC=NC2=NC=N1 |
| Synonym | 6-methoxypurine,6-methoxy-9h-purine,1h-purine, 6-methoxy,o-methylhypoxanthine,purine, 6-methoxy,1h-purine, 6-methoxy-9ci,6-methoxy-1h-purine,6-methoxy purine,6-methoxypu-rine,6-methoxypurine 99+% |
| IUPAC Name | 6-methoxy-7H-purine |
| InChI Key | GOILPRCCOREWQE-UHFFFAOYSA-N |
| Molecular Formula | C6H6N4O |
4-Fluorobenzoylacetonitrile 98.0+%, TCI America™
CAS: 4640-67-9 Molecular Formula: C9H6FNO Molecular Weight (g/mol): 163.15 MDL Number: MFCD00662062 InChI Key: LOJBBLDAJBJVBZ-UHFFFAOYSA-N Synonym: 4-fluorobenzoylacetonitrile,3-4-fluorophenyl-3-oxopropanenitrile,p-fluorobenzoylacetonitrile,unii-k1ltb8k2dh,3-4-fluorophenyl-3-oxopropionitrile,k1ltb8k2dh,3-4-fluoro-phenyl-3-oxo-propionitrile,benzenepropanenitrile, 4-fluoro-beta-oxo,alpha-cyano-4-fluoroacetophenone,acetonitrile, p-fluorobenzoyl PubChem CID: 2783172 IUPAC Name: 3-(4-fluorophenyl)-3-oxopropanenitrile SMILES: FC1=CC=C(C=C1)C(=O)CC#N
| PubChem CID | 2783172 |
|---|---|
| CAS | 4640-67-9 |
| Molecular Weight (g/mol) | 163.15 |
| MDL Number | MFCD00662062 |
| SMILES | FC1=CC=C(C=C1)C(=O)CC#N |
| Synonym | 4-fluorobenzoylacetonitrile,3-4-fluorophenyl-3-oxopropanenitrile,p-fluorobenzoylacetonitrile,unii-k1ltb8k2dh,3-4-fluorophenyl-3-oxopropionitrile,k1ltb8k2dh,3-4-fluoro-phenyl-3-oxo-propionitrile,benzenepropanenitrile, 4-fluoro-beta-oxo,alpha-cyano-4-fluoroacetophenone,acetonitrile, p-fluorobenzoyl |
| IUPAC Name | 3-(4-fluorophenyl)-3-oxopropanenitrile |
| InChI Key | LOJBBLDAJBJVBZ-UHFFFAOYSA-N |
| Molecular Formula | C9H6FNO |
1,5-Diaminoanthraquinone 92.0+%, TCI America™
CAS: 129-44-2 Molecular Formula: C14H10N2O2 Molecular Weight (g/mol): 238.246 MDL Number: MFCD00001226 InChI Key: VWBVCOPVKXNMMZ-UHFFFAOYSA-N Synonym: 1,5-diaminoanthraquinone,smoke red f,1,5-diaminoanthrachinon,c.i. disperse red ii,1,5-anthraquinonyldiamine,9,10-anthracenedione, 1,5-diamino,1,5-diamino-9,10-anthraquinone,1,5-daa,1,5-daa russian,unii-3zxx3hk358 PubChem CID: 8513 IUPAC Name: 1,5-diaminoanthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C(=CC=C3)N
| PubChem CID | 8513 |
|---|---|
| CAS | 129-44-2 |
| Molecular Weight (g/mol) | 238.246 |
| MDL Number | MFCD00001226 |
| SMILES | C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C(=CC=C3)N |
| Synonym | 1,5-diaminoanthraquinone,smoke red f,1,5-diaminoanthrachinon,c.i. disperse red ii,1,5-anthraquinonyldiamine,9,10-anthracenedione, 1,5-diamino,1,5-diamino-9,10-anthraquinone,1,5-daa,1,5-daa russian,unii-3zxx3hk358 |
| IUPAC Name | 1,5-diaminoanthracene-9,10-dione |
| InChI Key | VWBVCOPVKXNMMZ-UHFFFAOYSA-N |
| Molecular Formula | C14H10N2O2 |
trans-4-Ethylcyclohexanol 96.0+%, TCI America™
CAS: 19781-62-5 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00070694 InChI Key: RVTKUJWGFBADIN-UHFFFAOYSA-N PubChem CID: 78293 IUPAC Name: 4-ethylcyclohexan-1-ol SMILES: CCC1CCC(CC1)O
| PubChem CID | 78293 |
|---|---|
| CAS | 19781-62-5 |
| Molecular Weight (g/mol) | 128.215 |
| MDL Number | MFCD00070694 |
| SMILES | CCC1CCC(CC1)O |
| IUPAC Name | 4-ethylcyclohexan-1-ol |
| InChI Key | RVTKUJWGFBADIN-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
Chrysophanic Acid 96.0+%, TCI America™
CAS: 481-74-3 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00001208 InChI Key: LQGUBLBATBMXHT-UHFFFAOYSA-N Synonym: chrysophanol,chrysophanic acid,3-methylchrysazin,turkey rhubarb,1,8-dihydroxy-3-methylanthraquinone,crysophanic acid,c.i. natural yellow 23,1,8-dihydroxy-3-methyl-9,10-anthracenedione,4,5-dihydroxy-2-methylanthraquinone,crysophanol PubChem CID: 10208 ChEBI: CHEBI:3687 IUPAC Name: 1,8-dihydroxy-3-methyl-9,10-dihydroanthracene-9,10-dione SMILES: CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C1
| PubChem CID | 10208 |
|---|---|
| CAS | 481-74-3 |
| Molecular Weight (g/mol) | 254.24 |
| ChEBI | CHEBI:3687 |
| MDL Number | MFCD00001208 |
| SMILES | CC1=CC(O)=C2C(=O)C3=C(O)C=CC=C3C(=O)C2=C1 |
| Synonym | chrysophanol,chrysophanic acid,3-methylchrysazin,turkey rhubarb,1,8-dihydroxy-3-methylanthraquinone,crysophanic acid,c.i. natural yellow 23,1,8-dihydroxy-3-methyl-9,10-anthracenedione,4,5-dihydroxy-2-methylanthraquinone,crysophanol |
| IUPAC Name | 1,8-dihydroxy-3-methyl-9,10-dihydroanthracene-9,10-dione |
| InChI Key | LQGUBLBATBMXHT-UHFFFAOYSA-N |
| Molecular Formula | C15H10O4 |
Diethylene Glycol Diethyl Ether 98.0+%, TCI America™
CAS: 112-36-7 Molecular Formula: C8H18O3 Molecular Weight (g/mol): 162.229 MDL Number: MFCD00009254 InChI Key: RRQYJINTUHWNHW-UHFFFAOYSA-N Synonym: diethylene glycol diethyl ether,2-ethoxyethyl ether,diethyl carbitol,ethyl diglyme,1-ethoxy-2-2-ethoxyethoxy ethane,bis 2-ethoxyethyl ether,diethyldiethylene glycol,3,6,9-trioxaundecane,degdee,ether, bis 2-ethoxyethyl PubChem CID: 8179 ChEBI: CHEBI:44664 IUPAC Name: 1-ethoxy-2-(2-ethoxyethoxy)ethane SMILES: CCOCCOCCOCC
| PubChem CID | 8179 |
|---|---|
| CAS | 112-36-7 |
| Molecular Weight (g/mol) | 162.229 |
| ChEBI | CHEBI:44664 |
| MDL Number | MFCD00009254 |
| SMILES | CCOCCOCCOCC |
| Synonym | diethylene glycol diethyl ether,2-ethoxyethyl ether,diethyl carbitol,ethyl diglyme,1-ethoxy-2-2-ethoxyethoxy ethane,bis 2-ethoxyethyl ether,diethyldiethylene glycol,3,6,9-trioxaundecane,degdee,ether, bis 2-ethoxyethyl |
| IUPAC Name | 1-ethoxy-2-(2-ethoxyethoxy)ethane |
| InChI Key | RRQYJINTUHWNHW-UHFFFAOYSA-N |
| Molecular Formula | C8H18O3 |
1-Methoxy-4-methylnaphthalene 97.0+%, TCI America™
CAS: 24821-54-3 Molecular Formula: C12H12O Molecular Weight (g/mol): 172.23 MDL Number: MFCD00021472 InChI Key: DUXRFNPXLWUXMT-UHFFFAOYSA-N PubChem CID: 4381467 IUPAC Name: 1-methoxy-4-methylnaphthalene SMILES: COC1=C2C=CC=CC2=C(C)C=C1
| PubChem CID | 4381467 |
|---|---|
| CAS | 24821-54-3 |
| Molecular Weight (g/mol) | 172.23 |
| MDL Number | MFCD00021472 |
| SMILES | COC1=C2C=CC=CC2=C(C)C=C1 |
| IUPAC Name | 1-methoxy-4-methylnaphthalene |
| InChI Key | DUXRFNPXLWUXMT-UHFFFAOYSA-N |
| Molecular Formula | C12H12O |
4-Trifluoroacetyl-3-methyl-1-phenyl-5-pyrazolone 96.0+%, TCI America™
CAS: 1691-93-6 Molecular Formula: C12H9F3N2O2 Molecular Weight (g/mol): 270.211 MDL Number: MFCD00143378 InChI Key: XJJDGTPFEFAAMV-UHFFFAOYSA-N Synonym: 3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone PubChem CID: 781778 IUPAC Name: 5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3-one SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C(F)(F)F
| PubChem CID | 781778 |
|---|---|
| CAS | 1691-93-6 |
| Molecular Weight (g/mol) | 270.211 |
| MDL Number | MFCD00143378 |
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C(F)(F)F |
| Synonym | 3-Methyl-1-phenyl-4-trifluoroacetyl-5-pyrazolone |
| IUPAC Name | 5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-1H-pyrazol-3-one |
| InChI Key | XJJDGTPFEFAAMV-UHFFFAOYSA-N |
| Molecular Formula | C12H9F3N2O2 |