Organooxygen compounds
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cis,cis-9,12-Octadecadien-1-ol 95.0+%, TCI America™
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CAS: 506-43-4 Molecular Formula: C18H34O Molecular Weight (g/mol): 266.47 MDL Number: MFCD00056667 InChI Key: JXNPEDYJTDQORS-HZJYTTRNSA-N Synonym: Linoleyl Alcohol PubChem CID: 5365682 ChEBI: CHEBI:73534 IUPAC Name: (9Z,12Z)-octadeca-9,12-dien-1-ol SMILES: CCCCC\C=C/C\C=C/CCCCCCCCO
| PubChem CID | 5365682 |
|---|---|
| CAS | 506-43-4 |
| Molecular Weight (g/mol) | 266.47 |
| ChEBI | CHEBI:73534 |
| MDL Number | MFCD00056667 |
| SMILES | CCCCC\C=C/C\C=C/CCCCCCCCO |
| Synonym | Linoleyl Alcohol |
| IUPAC Name | (9Z,12Z)-octadeca-9,12-dien-1-ol |
| InChI Key | JXNPEDYJTDQORS-HZJYTTRNSA-N |
| Molecular Formula | C18H34O |
3-Dimethylamino-2-methyl-2-propenal 97.0+%, TCI America™
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CAS: 19125-76-9 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00075471 InChI Key: JGAMOQYFDMQPRJ-XQRVVYSFSA-N Synonym: z-3-dimethylamino-2-methylacrylaldehyde,2z-3-dimethylamino-2-methylacrylaldehyde,2z-3-dimethylamino-2-methylprop-2-enal,z-3-dimethylamino-2-methylprop-2-enal,2-propenal, 3-dimethylamino-2-methyl-, z,2-propenal, 3-dimethylamino-2-methyl-, 2z PubChem CID: 5919306 IUPAC Name: (Z)-3-(dimethylamino)-2-methylprop-2-enal SMILES: CC(=CN(C)C)C=O
| PubChem CID | 5919306 |
|---|---|
| CAS | 19125-76-9 |
| Molecular Weight (g/mol) | 113.16 |
| MDL Number | MFCD00075471 |
| SMILES | CC(=CN(C)C)C=O |
| Synonym | z-3-dimethylamino-2-methylacrylaldehyde,2z-3-dimethylamino-2-methylacrylaldehyde,2z-3-dimethylamino-2-methylprop-2-enal,z-3-dimethylamino-2-methylprop-2-enal,2-propenal, 3-dimethylamino-2-methyl-, z,2-propenal, 3-dimethylamino-2-methyl-, 2z |
| IUPAC Name | (Z)-3-(dimethylamino)-2-methylprop-2-enal |
| InChI Key | JGAMOQYFDMQPRJ-XQRVVYSFSA-N |
| Molecular Formula | C6H11NO |
4-Hydroxyisophthalaldehyde 98.0+%, TCI America™
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CAS: 3328-70-9 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.13 MDL Number: MFCD00003334 InChI Key: FEUATHOQKVGPEK-UHFFFAOYSA-N Synonym: 2,4-Diformylphenol PubChem CID: 165106 IUPAC Name: 4-hydroxybenzene-1,3-dicarbaldehyde SMILES: OC1=CC=C(C=O)C=C1C=O
| PubChem CID | 165106 |
|---|---|
| CAS | 3328-70-9 |
| Molecular Weight (g/mol) | 150.13 |
| MDL Number | MFCD00003334 |
| SMILES | OC1=CC=C(C=O)C=C1C=O |
| Synonym | 2,4-Diformylphenol |
| IUPAC Name | 4-hydroxybenzene-1,3-dicarbaldehyde |
| InChI Key | FEUATHOQKVGPEK-UHFFFAOYSA-N |
| Molecular Formula | C8H6O3 |
1,3-Acetonedicarboxylic Acid 95.0+%, TCI America™
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CAS: 542-05-2 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.098 MDL Number: MFCD00002711 InChI Key: OXTNCQMOKLOUAM-UHFFFAOYSA-N Synonym: 1,3-acetonedicarboxylic acid,3-oxoglutaric acid,acetonedicarboxylic acid,pentanedioic acid, 3-oxo,acetone-1,3-dicarboxylic acid,3-ketoglutaric acid,unii-ih7p7wo21p,1,3-acetonedicarboxylic acid; 3-ketoglutaric acid,ih7p7wo21p,acetondicarbonsaure PubChem CID: 68328 IUPAC Name: 3-oxopentanedioic acid SMILES: C(C(=O)CC(=O)O)C(=O)O
| PubChem CID | 68328 |
|---|---|
| CAS | 542-05-2 |
| Molecular Weight (g/mol) | 146.098 |
| MDL Number | MFCD00002711 |
| SMILES | C(C(=O)CC(=O)O)C(=O)O |
| Synonym | 1,3-acetonedicarboxylic acid,3-oxoglutaric acid,acetonedicarboxylic acid,pentanedioic acid, 3-oxo,acetone-1,3-dicarboxylic acid,3-ketoglutaric acid,unii-ih7p7wo21p,1,3-acetonedicarboxylic acid; 3-ketoglutaric acid,ih7p7wo21p,acetondicarbonsaure |
| IUPAC Name | 3-oxopentanedioic acid |
| InChI Key | OXTNCQMOKLOUAM-UHFFFAOYSA-N |
| Molecular Formula | C5H6O5 |
Dodecanal Dimethyl Acetal 97.0+%, TCI America™
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CAS: 14620-52-1 Molecular Formula: C14H30O2 Molecular Weight (g/mol): 230.39 MDL Number: MFCD00036645 InChI Key: AJUWUYJULVYGRA-UHFFFAOYSA-N Synonym: Lauryl Aldehyde Dimethyl Acetal, 1,1-Dimethoxydodecane PubChem CID: 84559 IUPAC Name: 1,1-dimethoxydodecane SMILES: CCCCCCCCCCCC(OC)OC
| PubChem CID | 84559 |
|---|---|
| CAS | 14620-52-1 |
| Molecular Weight (g/mol) | 230.39 |
| MDL Number | MFCD00036645 |
| SMILES | CCCCCCCCCCCC(OC)OC |
| Synonym | Lauryl Aldehyde Dimethyl Acetal, 1,1-Dimethoxydodecane |
| IUPAC Name | 1,1-dimethoxydodecane |
| InChI Key | AJUWUYJULVYGRA-UHFFFAOYSA-N |
| Molecular Formula | C14H30O2 |
2-Bromoethyl Methyl Ether 95.0+%, TCI America™
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CAS: 6482-24-2 Molecular Formula: C3H7BrO Molecular Weight (g/mol): 138.992 MDL Number: MFCD00000236 InChI Key: YZUPZGFPHUVJKC-UHFFFAOYSA-N Synonym: 2-bromoethyl methyl ether,2-methoxyethyl bromide,ethane, 1-bromo-2-methoxy,ether, 2-bromoethyl methyl,methoxyethyl bromide,2-bromoethylmethylether,bromoethyl methyl ether,2-bromoethylmethyl ether,2-bromoethylmethyl-ether,2-bromo-1-methoxyethane PubChem CID: 80972 IUPAC Name: 1-bromo-2-methoxyethane SMILES: COCCBr
| PubChem CID | 80972 |
|---|---|
| CAS | 6482-24-2 |
| Molecular Weight (g/mol) | 138.992 |
| MDL Number | MFCD00000236 |
| SMILES | COCCBr |
| Synonym | 2-bromoethyl methyl ether,2-methoxyethyl bromide,ethane, 1-bromo-2-methoxy,ether, 2-bromoethyl methyl,methoxyethyl bromide,2-bromoethylmethylether,bromoethyl methyl ether,2-bromoethylmethyl ether,2-bromoethylmethyl-ether,2-bromo-1-methoxyethane |
| IUPAC Name | 1-bromo-2-methoxyethane |
| InChI Key | YZUPZGFPHUVJKC-UHFFFAOYSA-N |
| Molecular Formula | C3H7BrO |
3-Methoxy-1-butanol 98.0+%, TCI America™
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CAS: 2517-43-3 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00002931 InChI Key: JSGVZVOGOQILFM-UHFFFAOYNA-N Synonym: 3-methoxy-1-butanol,3-methoxybutanol,1-butanol, 3-methoxy,methoxybutanol,ccris 8976,1-butanol, 3-methoxy-,-,1-butanol, 3-methoxy-, r,3-methoxy-butanol,3-methoxybutane-1-ol,3-methoxybutyl alcohol PubChem CID: 17291 IUPAC Name: 3-methoxybutan-1-ol SMILES: COC(C)CCO
| PubChem CID | 17291 |
|---|---|
| CAS | 2517-43-3 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00002931 |
| SMILES | COC(C)CCO |
| Synonym | 3-methoxy-1-butanol,3-methoxybutanol,1-butanol, 3-methoxy,methoxybutanol,ccris 8976,1-butanol, 3-methoxy-,-,1-butanol, 3-methoxy-, r,3-methoxy-butanol,3-methoxybutane-1-ol,3-methoxybutyl alcohol |
| IUPAC Name | 3-methoxybutan-1-ol |
| InChI Key | JSGVZVOGOQILFM-UHFFFAOYNA-N |
| Molecular Formula | C5H12O2 |
2-Trifluoromethyl-2-propanol 97.0+%, TCI America™
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CAS: 507-52-8 Molecular Formula: C4H7F3O Molecular Weight (g/mol): 128.09 MDL Number: MFCD00014391 InChI Key: OCGWWLDZAFOHGD-UHFFFAOYSA-N Synonym: 2-trifluoromethyl-2-propanol,2-trifluoromethylpropanol-2,2-propanol, 1,1,1-trifluoro-2-methyl,2-trifluormethyl-2-propanol,acmc-1aya6,2,2,2-trifluoro-tert-butanol,dimethyl trifluoromethyl methanol,2-trifluoromethyl propan-2-ol,1-methyl-1-trifluoromethyl-ethanol PubChem CID: 68182 IUPAC Name: 1,1,1-trifluoro-2-methylpropan-2-ol SMILES: CC(C)(O)C(F)(F)F
| PubChem CID | 68182 |
|---|---|
| CAS | 507-52-8 |
| Molecular Weight (g/mol) | 128.09 |
| MDL Number | MFCD00014391 |
| SMILES | CC(C)(O)C(F)(F)F |
| Synonym | 2-trifluoromethyl-2-propanol,2-trifluoromethylpropanol-2,2-propanol, 1,1,1-trifluoro-2-methyl,2-trifluormethyl-2-propanol,acmc-1aya6,2,2,2-trifluoro-tert-butanol,dimethyl trifluoromethyl methanol,2-trifluoromethyl propan-2-ol,1-methyl-1-trifluoromethyl-ethanol |
| IUPAC Name | 1,1,1-trifluoro-2-methylpropan-2-ol |
| InChI Key | OCGWWLDZAFOHGD-UHFFFAOYSA-N |
| Molecular Formula | C4H7F3O |
2-Chloroethyl Chloromethyl Ether 98.0+%, TCI America™
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CAS: 1462-33-5 Molecular Formula: C3H6Cl2O Molecular Weight (g/mol): 128.98 MDL Number: MFCD00191406 InChI Key: LUTWEKBTDWRTSE-UHFFFAOYSA-N Synonym: 2-(Chloromethoxy)ethyl Chloride PubChem CID: 10290810 IUPAC Name: 1-chloro-2-(chloromethoxy)ethane SMILES: ClCCOCCl
| PubChem CID | 10290810 |
|---|---|
| CAS | 1462-33-5 |
| Molecular Weight (g/mol) | 128.98 |
| MDL Number | MFCD00191406 |
| SMILES | ClCCOCCl |
| Synonym | 2-(Chloromethoxy)ethyl Chloride |
| IUPAC Name | 1-chloro-2-(chloromethoxy)ethane |
| InChI Key | LUTWEKBTDWRTSE-UHFFFAOYSA-N |
| Molecular Formula | C3H6Cl2O |
Hexyl Acetoacetate 97.0+%, TCI America™
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CAS: 13562-84-0 Molecular Formula: C10H18O3 Molecular Weight (g/mol): 186.25 MDL Number: MFCD00059440 InChI Key: QNZLAXONNWOLJY-UHFFFAOYSA-N Synonym: Acetoacetic Acid Hexyl Ester PubChem CID: 83577 IUPAC Name: hexyl 3-oxobutanoate SMILES: CCCCCCOC(=O)CC(C)=O
| PubChem CID | 83577 |
|---|---|
| CAS | 13562-84-0 |
| Molecular Weight (g/mol) | 186.25 |
| MDL Number | MFCD00059440 |
| SMILES | CCCCCCOC(=O)CC(C)=O |
| Synonym | Acetoacetic Acid Hexyl Ester |
| IUPAC Name | hexyl 3-oxobutanoate |
| InChI Key | QNZLAXONNWOLJY-UHFFFAOYSA-N |
| Molecular Formula | C10H18O3 |
Diethyl Isobutylmalonate 98.0+%, TCI America™
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CAS: 10203-58-4 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00026869 InChI Key: OFRFGNSZCYDFOH-UHFFFAOYSA-N Synonym: diethyl isobutylmalonate,isobutylmalonic acid diethyl ester,diethyl 2-isobutylmalonate,propanedioic acid, 2-methylpropyl-, diethyl ester,malonic acid, isobutyl-, diethyl ester,diethyl 2-2-methylpropyl propanedioate,ethyl 2-carbethoxy-4-methyl pentanoate,propanedioic acid, 2-2-methylpropyl-, 1,3-diethyl ester,1,3-diethyl 2-2-methylpropyl propanedioate,diethylisobutylmalonate PubChem CID: 25047 IUPAC Name: diethyl 2-(2-methylpropyl)propanedioate SMILES: CCOC(=O)C(CC(C)C)C(=O)OCC
| PubChem CID | 25047 |
|---|---|
| CAS | 10203-58-4 |
| Molecular Weight (g/mol) | 216.277 |
| MDL Number | MFCD00026869 |
| SMILES | CCOC(=O)C(CC(C)C)C(=O)OCC |
| Synonym | diethyl isobutylmalonate,isobutylmalonic acid diethyl ester,diethyl 2-isobutylmalonate,propanedioic acid, 2-methylpropyl-, diethyl ester,malonic acid, isobutyl-, diethyl ester,diethyl 2-2-methylpropyl propanedioate,ethyl 2-carbethoxy-4-methyl pentanoate,propanedioic acid, 2-2-methylpropyl-, 1,3-diethyl ester,1,3-diethyl 2-2-methylpropyl propanedioate,diethylisobutylmalonate |
| IUPAC Name | diethyl 2-(2-methylpropyl)propanedioate |
| InChI Key | OFRFGNSZCYDFOH-UHFFFAOYSA-N |
| Molecular Formula | C11H20O4 |
4,6-Diacetylresorcinol 98.0+%, TCI America™
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CAS: 2161-85-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00017655 InChI Key: GEYCQLIOGQPPFM-UHFFFAOYSA-N Synonym: 4,6-diacetylresorcinol,resodiacetophenone,1,1'-4,6-dihydroxy-1,3-phenylene bisethanone,ethanone, 1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethanone,1,1'-4,6-dihydroxy-1,3-phenylene diethanone,1,3-diacetyl-4,6-dihydroxybenzene,ethanone,1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethan-1-one,1,1'-4,6-dihydroxy-1,3-phenylene-bis-ethanone PubChem CID: 75097 IUPAC Name: 1-(5-acetyl-2,4-dihydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=CC(C(C)=O)=C(O)C=C1O
| PubChem CID | 75097 |
|---|---|
| CAS | 2161-85-5 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00017655 |
| SMILES | CC(=O)C1=CC(C(C)=O)=C(O)C=C1O |
| Synonym | 4,6-diacetylresorcinol,resodiacetophenone,1,1'-4,6-dihydroxy-1,3-phenylene bisethanone,ethanone, 1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethanone,1,1'-4,6-dihydroxy-1,3-phenylene diethanone,1,3-diacetyl-4,6-dihydroxybenzene,ethanone,1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethan-1-one,1,1'-4,6-dihydroxy-1,3-phenylene-bis-ethanone |
| IUPAC Name | 1-(5-acetyl-2,4-dihydroxyphenyl)ethan-1-one |
| InChI Key | GEYCQLIOGQPPFM-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
3-Methoxycyclohexene 97.0+%, TCI America™
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CAS: 2699-13-0 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.172 InChI Key: OKDKFTKUXADLSJ-UHFFFAOYSA-N PubChem CID: 137685 IUPAC Name: 3-methoxycyclohexene SMILES: COC1CCCC=C1
| PubChem CID | 137685 |
|---|---|
| CAS | 2699-13-0 |
| Molecular Weight (g/mol) | 112.172 |
| SMILES | COC1CCCC=C1 |
| IUPAC Name | 3-methoxycyclohexene |
| InChI Key | OKDKFTKUXADLSJ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O |
Cyclobutanol 98.0+%, TCI America™
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CAS: 2919-23-5 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00001318 InChI Key: KTHXBEHDVMTNOH-UHFFFAOYSA-N Synonym: cyclobutyl alcohol,cyclobutyl hydroxide,hydroxycyclobutane,acmc-1cgim,cyclobutanol,cyclobutanol 1g,ksc206s6t,kthxbehdvmtnoh-uhfffaoysa PubChem CID: 76218 IUPAC Name: cyclobutanol SMILES: OC1CCC1
| PubChem CID | 76218 |
|---|---|
| CAS | 2919-23-5 |
| Molecular Weight (g/mol) | 72.11 |
| MDL Number | MFCD00001318 |
| SMILES | OC1CCC1 |
| Synonym | cyclobutyl alcohol,cyclobutyl hydroxide,hydroxycyclobutane,acmc-1cgim,cyclobutanol,cyclobutanol 1g,ksc206s6t,kthxbehdvmtnoh-uhfffaoysa |
| IUPAC Name | cyclobutanol |
| InChI Key | KTHXBEHDVMTNOH-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
5-Methylisatin 99.0+%, TCI America™
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CAS: 608-05-9 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005721 InChI Key: VAJCSPZKMVQIAP-UHFFFAOYSA-N Synonym: 5-methylisatin,5-methylindoline-2,3-dione,5-methylindole-2,3-dione,1h-indole-2,3-dione, 5-methyl,indole-2,3-dione, 5-methyl,5-methyl-2,3-dihydro-1h-indole-2,3-dione,5-methyl-2,3-indolinedione,5-methyl-indole-2,3-dione,5-methylindole-2,3 1h-dione,5-methyl-1h-benzo d azolidine-2,3-dione PubChem CID: 11840 IUPAC Name: 5-methyl-2,3-dihydro-1H-indole-2,3-dione SMILES: CC1=CC=C2NC(=O)C(=O)C2=C1
| PubChem CID | 11840 |
|---|---|
| CAS | 608-05-9 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00005721 |
| SMILES | CC1=CC=C2NC(=O)C(=O)C2=C1 |
| Synonym | 5-methylisatin,5-methylindoline-2,3-dione,5-methylindole-2,3-dione,1h-indole-2,3-dione, 5-methyl,indole-2,3-dione, 5-methyl,5-methyl-2,3-dihydro-1h-indole-2,3-dione,5-methyl-2,3-indolinedione,5-methyl-indole-2,3-dione,5-methylindole-2,3 1h-dione,5-methyl-1h-benzo d azolidine-2,3-dione |
| IUPAC Name | 5-methyl-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | VAJCSPZKMVQIAP-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |