Organooxygen compounds
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3,5-Dichlorobenzaldehyde 97.0+%, TCI America™
CAS: 10203-08-4 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00003352 InChI Key: CASRSOJWLARCRX-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dichloro,3,5-dichloro-benzaldehyde,unii-m74yu7se79,rarechem aq a2 0002,pubchem3068,3,5-dichlorobezaldehyde,3,5-dichlorobenaldehyde,3?5-dichlorobenzaldehyde,benzaldehyde,5-dichloro,acmc-1bxq6 PubChem CID: 35746 IUPAC Name: 3,5-dichlorobenzaldehyde SMILES: C1=C(C=C(C=C1Cl)Cl)C=O
| PubChem CID | 35746 |
|---|---|
| CAS | 10203-08-4 |
| Molecular Weight (g/mol) | 175.008 |
| MDL Number | MFCD00003352 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)C=O |
| Synonym | benzaldehyde, 3,5-dichloro,3,5-dichloro-benzaldehyde,unii-m74yu7se79,rarechem aq a2 0002,pubchem3068,3,5-dichlorobezaldehyde,3,5-dichlorobenaldehyde,3?5-dichlorobenzaldehyde,benzaldehyde,5-dichloro,acmc-1bxq6 |
| IUPAC Name | 3,5-dichlorobenzaldehyde |
| InChI Key | CASRSOJWLARCRX-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
3,3,5-Trimethylcyclohexyl Mandelate (mixture of isomers) 94.0+%, TCI America™
CAS: 456-59-7 Molecular Formula: C17H24O3 Molecular Weight (g/mol): 276.38 MDL Number: MFCD00056623 InChI Key: WZHCOOQXZCIUNC-UHFFFAOYNA-N Synonym: Cyclandelate, Mandelic Acid 3,3,5-Trimethylcyclohexyl Ester PubChem CID: 2893 ChEBI: CHEBI:3988 IUPAC Name: 3,3,5-trimethylcyclohexyl 2-hydroxy-2-phenylacetate SMILES: CC1CC(CC(C)(C)C1)OC(=O)C(O)C1=CC=CC=C1
| PubChem CID | 2893 |
|---|---|
| CAS | 456-59-7 |
| Molecular Weight (g/mol) | 276.38 |
| ChEBI | CHEBI:3988 |
| MDL Number | MFCD00056623 |
| SMILES | CC1CC(CC(C)(C)C1)OC(=O)C(O)C1=CC=CC=C1 |
| Synonym | Cyclandelate, Mandelic Acid 3,3,5-Trimethylcyclohexyl Ester |
| IUPAC Name | 3,3,5-trimethylcyclohexyl 2-hydroxy-2-phenylacetate |
| InChI Key | WZHCOOQXZCIUNC-UHFFFAOYNA-N |
| Molecular Formula | C17H24O3 |
2-Bromo-4'-phenylacetophenone 98.0+%, TCI America™
CAS: 135-73-9 Molecular Formula: C14H11BrO Molecular Weight (g/mol): 275.145 MDL Number: MFCD00000202 InChI Key: KGHGZRVXCKCJGX-UHFFFAOYSA-N Synonym: 2-bromo-4'-phenylacetophenone,4-phenylphenacyl bromide,p-bromoacetylbiphenyl,p-phenylphenacyl bromide,bromomethyl p-biphenylyl ketone,ethanone, 1-1,1'-biphenyl-4-yl-2-bromo,2-bromo-1-4-phenylphenyl ethan-1-one,acetophenone, 2-bromo-4'-phenyl,alpha-bromo-p-phenylacetophenone,omega-bromo-4-phenylacetophenone PubChem CID: 67282 IUPAC Name: 2-bromo-1-(4-phenylphenyl)ethanone SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CBr
| PubChem CID | 67282 |
|---|---|
| CAS | 135-73-9 |
| Molecular Weight (g/mol) | 275.145 |
| MDL Number | MFCD00000202 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CBr |
| Synonym | 2-bromo-4'-phenylacetophenone,4-phenylphenacyl bromide,p-bromoacetylbiphenyl,p-phenylphenacyl bromide,bromomethyl p-biphenylyl ketone,ethanone, 1-1,1'-biphenyl-4-yl-2-bromo,2-bromo-1-4-phenylphenyl ethan-1-one,acetophenone, 2-bromo-4'-phenyl,alpha-bromo-p-phenylacetophenone,omega-bromo-4-phenylacetophenone |
| IUPAC Name | 2-bromo-1-(4-phenylphenyl)ethanone |
| InChI Key | KGHGZRVXCKCJGX-UHFFFAOYSA-N |
| Molecular Formula | C14H11BrO |
2'-Fluoropropiophenone 98.0+%, TCI America™
CAS: 446-22-0 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.17 MDL Number: MFCD00009893 InChI Key: NSNSIFGTEGKZFK-UHFFFAOYSA-N Synonym: 2'-fluoropropiophenone,1-2-fluorophenyl propan-1-one,1-2-fluorophenyl-1-propanone,ethyl 2-fluorophenyl ketone,1-propanone, 1-2-fluorophenyl,1-2-fluorphenyl propan-1-on,2;-fluoropropiophenone,pubchem19917,acmc-1cpyw,o-fluoropropiophenone PubChem CID: 579399 IUPAC Name: 1-(2-fluorophenyl)propan-1-one SMILES: CCC(=O)C1=CC=CC=C1F
| PubChem CID | 579399 |
|---|---|
| CAS | 446-22-0 |
| Molecular Weight (g/mol) | 152.17 |
| MDL Number | MFCD00009893 |
| SMILES | CCC(=O)C1=CC=CC=C1F |
| Synonym | 2'-fluoropropiophenone,1-2-fluorophenyl propan-1-one,1-2-fluorophenyl-1-propanone,ethyl 2-fluorophenyl ketone,1-propanone, 1-2-fluorophenyl,1-2-fluorphenyl propan-1-on,2;-fluoropropiophenone,pubchem19917,acmc-1cpyw,o-fluoropropiophenone |
| IUPAC Name | 1-(2-fluorophenyl)propan-1-one |
| InChI Key | NSNSIFGTEGKZFK-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO |
3'-Bromo-4'-methylacetophenone 98.0+%, TCI America™
CAS: 40180-80-1 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD02683854 InChI Key: PDJLFESXPVLVMR-UHFFFAOYSA-N PubChem CID: 3309401 IUPAC Name: 1-(3-bromo-4-methylphenyl)ethanone SMILES: CC1=C(C=C(C=C1)C(=O)C)Br
| PubChem CID | 3309401 |
|---|---|
| CAS | 40180-80-1 |
| Molecular Weight (g/mol) | 213.074 |
| MDL Number | MFCD02683854 |
| SMILES | CC1=C(C=C(C=C1)C(=O)C)Br |
| IUPAC Name | 1-(3-bromo-4-methylphenyl)ethanone |
| InChI Key | PDJLFESXPVLVMR-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |
4-Methyl-3-penten-2-one (contains 4-Methyl-4-penten-2-one) 85.0+%, TCI America™
CAS: 141-79-7 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00008900 InChI Key: SHOJXDKTYKFBRD-UHFFFAOYSA-N Synonym: mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone PubChem CID: 8858 IUPAC Name: 4-methylpent-3-en-2-one SMILES: CC(=CC(=O)C)C
| PubChem CID | 8858 |
|---|---|
| CAS | 141-79-7 |
| Molecular Weight (g/mol) | 98.145 |
| MDL Number | MFCD00008900 |
| SMILES | CC(=CC(=O)C)C |
| Synonym | mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone |
| IUPAC Name | 4-methylpent-3-en-2-one |
| InChI Key | SHOJXDKTYKFBRD-UHFFFAOYSA-N |
| Molecular Formula | C6H10O |
4-Hydroxycyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 17419-81-7 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00077974 InChI Key: HCFRWBBJISAZNK-UHFFFAOYSA-N PubChem CID: 151138 IUPAC Name: 4-hydroxycyclohexane-1-carboxylic acid SMILES: C1CC(CCC1C(=O)O)O
| PubChem CID | 151138 |
|---|---|
| CAS | 17419-81-7 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00077974 |
| SMILES | C1CC(CCC1C(=O)O)O |
| IUPAC Name | 4-hydroxycyclohexane-1-carboxylic acid |
| InChI Key | HCFRWBBJISAZNK-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
2'-Hydroxy-4',5'-dimethoxyacetophenone 98.0+%, TCI America™
CAS: 20628-06-2 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00017241 InChI Key: KEQHBVWVKYHDCS-UHFFFAOYSA-N PubChem CID: 706870 IUPAC Name: 1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1O)OC)OC
| PubChem CID | 706870 |
|---|---|
| CAS | 20628-06-2 |
| Molecular Weight (g/mol) | 196.202 |
| MDL Number | MFCD00017241 |
| SMILES | CC(=O)C1=CC(=C(C=C1O)OC)OC |
| IUPAC Name | 1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone |
| InChI Key | KEQHBVWVKYHDCS-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
cis-3,3,5-Trimethylcyclohexanol (contains ca. 20% trans- isomer) 80.0+%, TCI America™
CAS: 116-02-9 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.242 MDL Number: MFCD00019378 InChI Key: BRRVXFOKWJKTGG-UHFFFAOYSA-N Synonym: 3,3,5-trimethylcyclohexanol,cyclonol,homomenthol,cyclohexanol, 3,3,5-trimethyl,isophorol, dihydro,trimethylcyclohexanol,dihydroisophorol,3,3,5-trimethyl-1-cyclohexanol,3,5,5-trimethylcyclohexanol,1-methyl-3-dimethylcyclohexanol-5 PubChem CID: 8298 ChEBI: CHEBI:59065 IUPAC Name: 3,3,5-trimethylcyclohexan-1-ol SMILES: CC1CC(CC(C1)(C)C)O
| PubChem CID | 8298 |
|---|---|
| CAS | 116-02-9 |
| Molecular Weight (g/mol) | 142.242 |
| ChEBI | CHEBI:59065 |
| MDL Number | MFCD00019378 |
| SMILES | CC1CC(CC(C1)(C)C)O |
| Synonym | 3,3,5-trimethylcyclohexanol,cyclonol,homomenthol,cyclohexanol, 3,3,5-trimethyl,isophorol, dihydro,trimethylcyclohexanol,dihydroisophorol,3,3,5-trimethyl-1-cyclohexanol,3,5,5-trimethylcyclohexanol,1-methyl-3-dimethylcyclohexanol-5 |
| IUPAC Name | 3,3,5-trimethylcyclohexan-1-ol |
| InChI Key | BRRVXFOKWJKTGG-UHFFFAOYSA-N |
| Molecular Formula | C9H18O |
2-Chloro-4-pyridinecarboxaldehyde 98.0+%, TCI America™
CAS: 101066-61-9 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.55 MDL Number: MFCD06651557 InChI Key: UFPOSTQMFOYHJI-UHFFFAOYSA-N Synonym: 2-chloroisonicotinaldehyde,2-chloro-4-pyridinecarboxaldehyde,2-chloro-4-formylpyridine,2-chloro-pyridine-4-carbaldehyde,2-chloropyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde, 2-chloro,pubchem5099,6-chloroisonicotinaldehyde,ksc180g9n,2-chloropyridin-4-carbaldehyde PubChem CID: 2762994 IUPAC Name: 2-chloropyridine-4-carbaldehyde SMILES: ClC1=CC(C=O)=CC=N1
| PubChem CID | 2762994 |
|---|---|
| CAS | 101066-61-9 |
| Molecular Weight (g/mol) | 141.55 |
| MDL Number | MFCD06651557 |
| SMILES | ClC1=CC(C=O)=CC=N1 |
| Synonym | 2-chloroisonicotinaldehyde,2-chloro-4-pyridinecarboxaldehyde,2-chloro-4-formylpyridine,2-chloro-pyridine-4-carbaldehyde,2-chloropyridine-4-carboxaldehyde,4-pyridinecarboxaldehyde, 2-chloro,pubchem5099,6-chloroisonicotinaldehyde,ksc180g9n,2-chloropyridin-4-carbaldehyde |
| IUPAC Name | 2-chloropyridine-4-carbaldehyde |
| InChI Key | UFPOSTQMFOYHJI-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
4-(4-Methylphenyl)-4-oxobutyric Acid 98.0+%, TCI America™
CAS: 4619-20-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00020541 InChI Key: OEEUWZITKKSXAZ-UHFFFAOYSA-N Synonym: 3-4-methylbenzoyl propionic acid,4-oxo-4-p-tolyl butanoic acid,4-4-methylphenyl-4-oxobutanoic acid,4-4-methylphenyl-4-oxobutyric acid,4-oxo-4-4-tolyl butyric acid,4-oxo-4-p-tolylbutyric acid,4-oxo-4-p-tolylbutanoic acid,3-4-methylbenzoyl-propionic acid,acmc-1aooh,benzenebutanoic acid, 4-methyl-gamma-oxo PubChem CID: 244162 IUPAC Name: 4-(4-methylphenyl)-4-oxobutanoic acid SMILES: CC1=CC=C(C=C1)C(=O)CCC(=O)O
| PubChem CID | 244162 |
|---|---|
| CAS | 4619-20-9 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00020541 |
| SMILES | CC1=CC=C(C=C1)C(=O)CCC(=O)O |
| Synonym | 3-4-methylbenzoyl propionic acid,4-oxo-4-p-tolyl butanoic acid,4-4-methylphenyl-4-oxobutanoic acid,4-4-methylphenyl-4-oxobutyric acid,4-oxo-4-4-tolyl butyric acid,4-oxo-4-p-tolylbutyric acid,4-oxo-4-p-tolylbutanoic acid,3-4-methylbenzoyl-propionic acid,acmc-1aooh,benzenebutanoic acid, 4-methyl-gamma-oxo |
| IUPAC Name | 4-(4-methylphenyl)-4-oxobutanoic acid |
| InChI Key | OEEUWZITKKSXAZ-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
Indole-4-carboxaldehyde 98.0+%, TCI America™
CAS: 1074-86-8 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD01632221 InChI Key: JFDDFGLNZWNJTK-UHFFFAOYSA-N Synonym: indole-4-carboxaldehyde,4-formylindole,1h-indole-4-carboxaldehyde,indole-4-carbaldehyde,4-indole-carboxaldehyde,4-indolecarbaldehyde,4-formyl-indole,4-formyl-1h-indole,1h-indol-4-carbaldehyde,indole-4-aldehyde PubChem CID: 333703 IUPAC Name: 1H-indole-4-carbaldehyde SMILES: O=CC1=C2C=CNC2=CC=C1
| PubChem CID | 333703 |
|---|---|
| CAS | 1074-86-8 |
| Molecular Weight (g/mol) | 145.16 |
| MDL Number | MFCD01632221 |
| SMILES | O=CC1=C2C=CNC2=CC=C1 |
| Synonym | indole-4-carboxaldehyde,4-formylindole,1h-indole-4-carboxaldehyde,indole-4-carbaldehyde,4-indole-carboxaldehyde,4-indolecarbaldehyde,4-formyl-indole,4-formyl-1h-indole,1h-indol-4-carbaldehyde,indole-4-aldehyde |
| IUPAC Name | 1H-indole-4-carbaldehyde |
| InChI Key | JFDDFGLNZWNJTK-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
2,4-Dichloro-5-methoxypyrimidine 98.0+%, TCI America™
CAS: 19646-07-2 Molecular Formula: C5H4Cl2N2O Molecular Weight (g/mol): 179.00 MDL Number: MFCD02685670 InChI Key: ZTHHRSBDBPCCMZ-UHFFFAOYSA-N Synonym: 2,4-dichloro-5-methoxy-pyrimidine,2,4-dichloro-5-methoxy pyrimidine,pyrimidine, 2,4-dichloro-5-methoxy,2,4-dichloropyrimidin-5-yl methyl ether,5-methoxy-2,4-dichloro pyrimidine,pubchem7076,ksc490s5l,2,4 dichloro-5-methoxypyrimidine,2,4-dichloro-5-methoxy-pyrimidin,2,6-dichloro-5-methoxy pyrimidine PubChem CID: 601401 IUPAC Name: 2,4-dichloro-5-methoxypyrimidine SMILES: COC1=CN=C(Cl)N=C1Cl
| PubChem CID | 601401 |
|---|---|
| CAS | 19646-07-2 |
| Molecular Weight (g/mol) | 179.00 |
| MDL Number | MFCD02685670 |
| SMILES | COC1=CN=C(Cl)N=C1Cl |
| Synonym | 2,4-dichloro-5-methoxy-pyrimidine,2,4-dichloro-5-methoxy pyrimidine,pyrimidine, 2,4-dichloro-5-methoxy,2,4-dichloropyrimidin-5-yl methyl ether,5-methoxy-2,4-dichloro pyrimidine,pubchem7076,ksc490s5l,2,4 dichloro-5-methoxypyrimidine,2,4-dichloro-5-methoxy-pyrimidin,2,6-dichloro-5-methoxy pyrimidine |
| IUPAC Name | 2,4-dichloro-5-methoxypyrimidine |
| InChI Key | ZTHHRSBDBPCCMZ-UHFFFAOYSA-N |
| Molecular Formula | C5H4Cl2N2O |
4'-Bromovalerophenone 98.0+%, TCI America™
CAS: 7295-44-5 Molecular Formula: C11H13BrO Molecular Weight (g/mol): 241.128 MDL Number: MFCD00000107 InChI Key: STYJKBMRWQQJIS-UHFFFAOYSA-N Synonym: 4'-bromovalerophenone,1-4-bromophenyl pentan-1-one,p-bromophenyl butyl ketone,p-bromovalerophenone,1-pentanone, 1-4-bromophenyl,4-bromovalerophenone,1-bromo-4-pentanoylbenzene,1-4-bromophenyl-1-pentanone,acmc-20ammf,4;-bromovalerophenone PubChem CID: 81717 IUPAC Name: 1-(4-bromophenyl)pentan-1-one SMILES: CCCCC(=O)C1=CC=C(C=C1)Br
| PubChem CID | 81717 |
|---|---|
| CAS | 7295-44-5 |
| Molecular Weight (g/mol) | 241.128 |
| MDL Number | MFCD00000107 |
| SMILES | CCCCC(=O)C1=CC=C(C=C1)Br |
| Synonym | 4'-bromovalerophenone,1-4-bromophenyl pentan-1-one,p-bromophenyl butyl ketone,p-bromovalerophenone,1-pentanone, 1-4-bromophenyl,4-bromovalerophenone,1-bromo-4-pentanoylbenzene,1-4-bromophenyl-1-pentanone,acmc-20ammf,4;-bromovalerophenone |
| IUPAC Name | 1-(4-bromophenyl)pentan-1-one |
| InChI Key | STYJKBMRWQQJIS-UHFFFAOYSA-N |
| Molecular Formula | C11H13BrO |
2-Acetyl-5-methylfuran 98.0+%, TCI America™
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 |