Organooxygen compounds
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4-Aminobutyraldehyde dimethyl acetal, 98+%
CAS: 19060-15-2 Molecular Formula: C6H16NO2 Molecular Weight (g/mol): 134.20 MDL Number: MFCD00189373 InChI Key: TYVAXMOICMBSMT-UHFFFAOYSA-O Synonym: 4-aminobutyraldehyde dimethyl acetal,4,4-dimethoxybutylamine,4,4-dimethoxy-1-butanamine,4-aminobutyraldehyde dimethylacetal,acmc-1bqj6,4-aminobutyraldehyde dimethyl,1-amino-4,4-dimethoxybutane,cs-waa0041,tyvaxmoicmbsmt-uhfffaoysa,4-aminobutyraldehydedimethylacetal PubChem CID: 5463803 SMILES: COC(CCC[NH3+])OC
| PubChem CID | 5463803 |
|---|---|
| CAS | 19060-15-2 |
| Molecular Weight (g/mol) | 134.20 |
| MDL Number | MFCD00189373 |
| SMILES | COC(CCC[NH3+])OC |
| Synonym | 4-aminobutyraldehyde dimethyl acetal,4,4-dimethoxybutylamine,4,4-dimethoxy-1-butanamine,4-aminobutyraldehyde dimethylacetal,acmc-1bqj6,4-aminobutyraldehyde dimethyl,1-amino-4,4-dimethoxybutane,cs-waa0041,tyvaxmoicmbsmt-uhfffaoysa,4-aminobutyraldehydedimethylacetal |
| InChI Key | TYVAXMOICMBSMT-UHFFFAOYSA-O |
| Molecular Formula | C6H16NO2 |
alpha-Bisabolol, 96%
CAS: 515-69-5 Molecular Formula: C15H26O Molecular Weight (g/mol): 222.372 MDL Number: MFCD03846910 InChI Key: RGZSQWQPBWRIAQ-LSDHHAIUSA-N Synonym: bisabolol,alpha-bisabolol,+-alpha-bisabolol,d-alpha-bisabolol,.alpha.-bisabolol,+-1'r,2r-alpha-bisabolol,2r-6-methyl-2-1r-4-methylcyclohex-3-en-1-yl hept-5-en-2-ol,3-cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-4-methyl-3-pentenyl-, r*,r*,dsstox_cid_25964,dsstox_rid_81260 PubChem CID: 1549992 IUPAC Name: (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol SMILES: CC1=CCC(CC1)C(C)(CCC=C(C)C)O
| PubChem CID | 1549992 |
|---|---|
| CAS | 515-69-5 |
| Molecular Weight (g/mol) | 222.372 |
| MDL Number | MFCD03846910 |
| SMILES | CC1=CCC(CC1)C(C)(CCC=C(C)C)O |
| Synonym | bisabolol,alpha-bisabolol,+-alpha-bisabolol,d-alpha-bisabolol,.alpha.-bisabolol,+-1'r,2r-alpha-bisabolol,2r-6-methyl-2-1r-4-methylcyclohex-3-en-1-yl hept-5-en-2-ol,3-cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-4-methyl-3-pentenyl-, r*,r*,dsstox_cid_25964,dsstox_rid_81260 |
| IUPAC Name | (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol |
| InChI Key | RGZSQWQPBWRIAQ-LSDHHAIUSA-N |
| Molecular Formula | C15H26O |
1,4-Dimethoxynaphthalene, 96%
CAS: 10075-62-4 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.226 MDL Number: MFCD00052378 InChI Key: FWWRTYBQQDXLDD-UHFFFAOYSA-N PubChem CID: 82337 IUPAC Name: 1,4-dimethoxynaphthalene SMILES: COC1=CC=C(C2=CC=CC=C21)OC
| PubChem CID | 82337 |
|---|---|
| CAS | 10075-62-4 |
| Molecular Weight (g/mol) | 188.226 |
| MDL Number | MFCD00052378 |
| SMILES | COC1=CC=C(C2=CC=CC=C21)OC |
| IUPAC Name | 1,4-dimethoxynaphthalene |
| InChI Key | FWWRTYBQQDXLDD-UHFFFAOYSA-N |
| Molecular Formula | C12H12O2 |
4'-Nitroacetophenone, 98%
CAS: 100-19-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00007355 InChI Key: YQYGPGKTNQNXMH-UHFFFAOYSA-N Synonym: p-nitroacetophenone,4'-nitroacetophenone,4-nitroacetophenone,1-4-nitrophenyl ethanone,p-acetylnitrobenzene,paranitroacetophenone,p-nitrophenyl methyl ketone,1-4-nitrophenyl ethan-1-one,ethanone, 1-4-nitrophenyl,pnap PubChem CID: 7487 ChEBI: CHEBI:28735 IUPAC Name: 1-(4-nitrophenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 7487 |
|---|---|
| CAS | 100-19-6 |
| Molecular Weight (g/mol) | 165.15 |
| ChEBI | CHEBI:28735 |
| MDL Number | MFCD00007355 |
| SMILES | CC(=O)C1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | p-nitroacetophenone,4'-nitroacetophenone,4-nitroacetophenone,1-4-nitrophenyl ethanone,p-acetylnitrobenzene,paranitroacetophenone,p-nitrophenyl methyl ketone,1-4-nitrophenyl ethan-1-one,ethanone, 1-4-nitrophenyl,pnap |
| IUPAC Name | 1-(4-nitrophenyl)ethanone |
| InChI Key | YQYGPGKTNQNXMH-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
2,3-Butanedione, 99%
CAS: 431-03-8 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00008756 InChI Key: QSJXEFYPDANLFS-UHFFFAOYSA-N Synonym: 2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane PubChem CID: 650 ChEBI: CHEBI:16583 IUPAC Name: butane-2,3-dione SMILES: CC(=O)C(=O)C
| PubChem CID | 650 |
|---|---|
| CAS | 431-03-8 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:16583 |
| MDL Number | MFCD00008756 |
| SMILES | CC(=O)C(=O)C |
| Synonym | 2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane |
| IUPAC Name | butane-2,3-dione |
| InChI Key | QSJXEFYPDANLFS-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
Spectrum Chemical Manufacturing Corporation Acetaldehyde, Reagent, ACS, 99.5%, Spectrum™ Chemical
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CAS: 75-07-0 Molecular Formula: C2H4O Molecular Weight (g/mol): 44.05 InChI Key: IKHGUXGNUITLKF-UHFFFAOYSA-N IUPAC Name: acetaldehyde SMILES: CC=O
| CAS | 75-07-0 |
|---|---|
| Molecular Weight (g/mol) | 44.05 |
| SMILES | CC=O |
| IUPAC Name | acetaldehyde |
| InChI Key | IKHGUXGNUITLKF-UHFFFAOYSA-N |
| Molecular Formula | C2H4O |
tert-Butyl propargyl ether, 98%
CAS: 16314-18-4 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD07368651 InChI Key: QIGSPXPODKLGRK-UHFFFAOYSA-N PubChem CID: 7172302 IUPAC Name: 2-methyl-2-prop-2-ynoxypropane SMILES: CC(C)(C)OCC#C
| PubChem CID | 7172302 |
|---|---|
| CAS | 16314-18-4 |
| Molecular Weight (g/mol) | 112.17 |
| MDL Number | MFCD07368651 |
| SMILES | CC(C)(C)OCC#C |
| IUPAC Name | 2-methyl-2-prop-2-ynoxypropane |
| InChI Key | QIGSPXPODKLGRK-UHFFFAOYSA-N |
| Molecular Formula | C7H12O |
2-Acetyl-5-methylfuran, 98+%
CAS: 1193-79-9 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00003243 InChI Key: KEFJLCGVTHRGAH-UHFFFAOYSA-N Synonym: 2-acetyl-5-methylfuran,5-methyl-2-acetylfuran,1-5-methylfuran-2-yl ethanone,1-5-methyl-2-furyl ethanone,5-methyl-2-furylmethylketone,ethanone, 1-5-methyl-2-furanyl,1-5-methyl-2-furanyl ethanone,2-methyl-5-acetylfuran,1-5-methyl-2-furyl ethan-1-one,methyl 5-methyl-2-furyl ketone PubChem CID: 14514 ChEBI: CHEBI:562752 IUPAC Name: 1-(5-methylfuran-2-yl)ethanone SMILES: CC1=CC=C(O1)C(=O)C
| PubChem CID | 14514 |
|---|---|
| CAS | 1193-79-9 |
| Molecular Weight (g/mol) | 124.139 |
| ChEBI | CHEBI:562752 |
| MDL Number | MFCD00003243 |
| SMILES | CC1=CC=C(O1)C(=O)C |
| Synonym | 2-acetyl-5-methylfuran,5-methyl-2-acetylfuran,1-5-methylfuran-2-yl ethanone,1-5-methyl-2-furyl ethanone,5-methyl-2-furylmethylketone,ethanone, 1-5-methyl-2-furanyl,1-5-methyl-2-furanyl ethanone,2-methyl-5-acetylfuran,1-5-methyl-2-furyl ethan-1-one,methyl 5-methyl-2-furyl ketone |
| IUPAC Name | 1-(5-methylfuran-2-yl)ethanone |
| InChI Key | KEFJLCGVTHRGAH-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
3',4'-Difluoropropiophenone, 97%
CAS: 23384-72-7 Molecular Formula: C9H8F2O Molecular Weight (g/mol): 170.16 MDL Number: MFCD00015505 InChI Key: FSZOBSMJJFHVCQ-UHFFFAOYSA-N Synonym: 1-3,4-difluorophenyl propan-1-one,3',4'-difluoropropiophenone,3,4-difluoropropiophenone,propiophenone, 3',4'-difluoro,1-propanone, 1-3,4-difluorophenyl,acmc-1cgp0,ksc551g8r,1-3,4-difluorophenyl-1-propanone,1-propanone,1-3,4-difluorophenyl,1-3,4-difluorophenyl-1-propanone # PubChem CID: 520050 IUPAC Name: 1-(3,4-difluorophenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(F)C(F)=C1
| PubChem CID | 520050 |
|---|---|
| CAS | 23384-72-7 |
| Molecular Weight (g/mol) | 170.16 |
| MDL Number | MFCD00015505 |
| SMILES | CCC(=O)C1=CC=C(F)C(F)=C1 |
| Synonym | 1-3,4-difluorophenyl propan-1-one,3',4'-difluoropropiophenone,3,4-difluoropropiophenone,propiophenone, 3',4'-difluoro,1-propanone, 1-3,4-difluorophenyl,acmc-1cgp0,ksc551g8r,1-3,4-difluorophenyl-1-propanone,1-propanone,1-3,4-difluorophenyl,1-3,4-difluorophenyl-1-propanone # |
| IUPAC Name | 1-(3,4-difluorophenyl)propan-1-one |
| InChI Key | FSZOBSMJJFHVCQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8F2O |
2-Hexanoylfuran, 99%
CAS: 14360-50-0 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00037354 InChI Key: YUAYWSBSIJVIBS-UHFFFAOYSA-N Synonym: 2-hexanoylfuran,2-furyl pentyl ketone,1-hexanone, 1-2-furanyl,pentyl 2-furyl ketone,1-2-furyl-1-hexanone,1-furan-2-yl hexan-1-one,1-2-furyl hexanone,2-furyl n-pentyl ketone,1-2-furanyl-1-hexanone,furan, 2-hexanoyl PubChem CID: 61738 IUPAC Name: 1-(furan-2-yl)hexan-1-one SMILES: CCCCCC(=O)C1=CC=CO1
| PubChem CID | 61738 |
|---|---|
| CAS | 14360-50-0 |
| Molecular Weight (g/mol) | 166.22 |
| MDL Number | MFCD00037354 |
| SMILES | CCCCCC(=O)C1=CC=CO1 |
| Synonym | 2-hexanoylfuran,2-furyl pentyl ketone,1-hexanone, 1-2-furanyl,pentyl 2-furyl ketone,1-2-furyl-1-hexanone,1-furan-2-yl hexan-1-one,1-2-furyl hexanone,2-furyl n-pentyl ketone,1-2-furanyl-1-hexanone,furan, 2-hexanoyl |
| IUPAC Name | 1-(furan-2-yl)hexan-1-one |
| InChI Key | YUAYWSBSIJVIBS-UHFFFAOYSA-N |
| Molecular Formula | C10H14O2 |
3',4'-Dihydroxypropiophenone, 98%
CAS: 7451-98-1 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00016440 InChI Key: HNWIHBDMOYWCGX-UHFFFAOYSA-N Synonym: 3',4'-dihydroxypropiophenone,3,4-dihydroxypropiophenone,propiophenone, 3',4'-dihydroxy,1-3,4-dihydroxyphenyl propan-1-one,1-propanone, 1-3,4-dihydroxyphenyl,1-3,4-dihydroxyphenyl-1-propanone,1-propanone,1-3,4-dihydroxyphenyl,4-propionylbrenzcatechin,propiophenone,4'-dihydroxy,3', 4'-dihydroxypropiophenone PubChem CID: 96267 IUPAC Name: 1-(3,4-dihydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC(=C(C=C1)O)O
| PubChem CID | 96267 |
|---|---|
| CAS | 7451-98-1 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00016440 |
| SMILES | CCC(=O)C1=CC(=C(C=C1)O)O |
| Synonym | 3',4'-dihydroxypropiophenone,3,4-dihydroxypropiophenone,propiophenone, 3',4'-dihydroxy,1-3,4-dihydroxyphenyl propan-1-one,1-propanone, 1-3,4-dihydroxyphenyl,1-3,4-dihydroxyphenyl-1-propanone,1-propanone,1-3,4-dihydroxyphenyl,4-propionylbrenzcatechin,propiophenone,4'-dihydroxy,3', 4'-dihydroxypropiophenone |
| IUPAC Name | 1-(3,4-dihydroxyphenyl)propan-1-one |
| InChI Key | HNWIHBDMOYWCGX-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Thiophene-2-carboxaldehyde, 98+%
CAS: 98-03-3 Molecular Formula: C5H4OS Molecular Weight (g/mol): 112.15 MDL Number: MFCD00005429 InChI Key: CNUDBTRUORMMPA-UHFFFAOYSA-N Synonym: 2-thiophenecarboxaldehyde,2-thenaldehyde,thiophene-2-aldehyde,2-formylthiophene,2-thienylaldehyde,2-thiophenealdehyde,thiophene-2-carboxaldehyde,2-thienylcarboxaldehyde,2-thienaldehyde,alpha-formylthiophene PubChem CID: 7364 ChEBI: CHEBI:87301 IUPAC Name: thiophene-2-carbaldehyde SMILES: O=CC1=CC=CS1
| PubChem CID | 7364 |
|---|---|
| CAS | 98-03-3 |
| Molecular Weight (g/mol) | 112.15 |
| ChEBI | CHEBI:87301 |
| MDL Number | MFCD00005429 |
| SMILES | O=CC1=CC=CS1 |
| Synonym | 2-thiophenecarboxaldehyde,2-thenaldehyde,thiophene-2-aldehyde,2-formylthiophene,2-thienylaldehyde,2-thiophenealdehyde,thiophene-2-carboxaldehyde,2-thienylcarboxaldehyde,2-thienaldehyde,alpha-formylthiophene |
| IUPAC Name | thiophene-2-carbaldehyde |
| InChI Key | CNUDBTRUORMMPA-UHFFFAOYSA-N |
| Molecular Formula | C5H4OS |
3-Chlorobenzoylacetonitrile, 98%
CAS: 21667-62-9 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD00067891 InChI Key: IUDFNNHFARLIPF-UHFFFAOYSA-N Synonym: 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 PubChem CID: 140855 IUPAC Name: 3-(3-chlorophenyl)-3-oxopropanenitrile SMILES: ClC1=CC=CC(=C1)C(=O)CC#N
| PubChem CID | 140855 |
|---|---|
| CAS | 21667-62-9 |
| Molecular Weight (g/mol) | 179.60 |
| MDL Number | MFCD00067891 |
| SMILES | ClC1=CC=CC(=C1)C(=O)CC#N |
| Synonym | 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 |
| IUPAC Name | 3-(3-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | IUDFNNHFARLIPF-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
4-Acetylbenzoic acid, 98+%
CAS: 586-89-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00002561 InChI Key: QBHDSQZASIBAAI-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl,p-acetylbenzoic acid,4-acetyl-benzoic acid,4'-acetophenonecarboxylic acid,4-acetylbezoic acid,4-acetylbenzoci acid,4'-carboxyacetohenone,pubchem3129,4-acetyl benzoic acid PubChem CID: 11470 IUPAC Name: 4-acetylbenzoic acid SMILES: CC(=O)C1=CC=C(C=C1)C(=O)O
| PubChem CID | 11470 |
|---|---|
| CAS | 586-89-0 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00002561 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(=O)O |
| Synonym | benzoic acid, 4-acetyl,p-acetylbenzoic acid,4-acetyl-benzoic acid,4'-acetophenonecarboxylic acid,4-acetylbezoic acid,4-acetylbenzoci acid,4'-carboxyacetohenone,pubchem3129,4-acetyl benzoic acid |
| IUPAC Name | 4-acetylbenzoic acid |
| InChI Key | QBHDSQZASIBAAI-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
4-Carboxybenzaldehyde, 98%
CAS: 619-66-9 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.133 MDL Number: MFCD00006951 InChI Key: GOUHYARYYWKXHS-UHFFFAOYSA-N Synonym: 4-carboxybenzaldehyde,benzoic acid, 4-formyl,terephthalaldehydic acid,p-formylbenzoic acid,p-carboxybenzaldehyde,terephthaldehydic acid,4-carboxybenzaladehyde,4-formyl-benzoic acid,4-formylbenzoicacid,unii-ues4qrk36e PubChem CID: 12088 IUPAC Name: 4-formylbenzoic acid SMILES: C1=CC(=CC=C1C=O)C(=O)O
| PubChem CID | 12088 |
|---|---|
| CAS | 619-66-9 |
| Molecular Weight (g/mol) | 150.133 |
| MDL Number | MFCD00006951 |
| SMILES | C1=CC(=CC=C1C=O)C(=O)O |
| Synonym | 4-carboxybenzaldehyde,benzoic acid, 4-formyl,terephthalaldehydic acid,p-formylbenzoic acid,p-carboxybenzaldehyde,terephthaldehydic acid,4-carboxybenzaladehyde,4-formyl-benzoic acid,4-formylbenzoicacid,unii-ues4qrk36e |
| IUPAC Name | 4-formylbenzoic acid |
| InChI Key | GOUHYARYYWKXHS-UHFFFAOYSA-N |
| Molecular Formula | C8H6O3 |