Organooxygen compounds
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3-(Difluoromethoxy)benzaldehyde, 97%
CAS: 85684-61-3 Molecular Formula: C8H6F2O2 Molecular Weight (g/mol): 172.131 MDL Number: MFCD00236222 InChI Key: HFIUSWPRDIPIPN-UHFFFAOYSA-N PubChem CID: 2736985 IUPAC Name: 3-(difluoromethoxy)benzaldehyde SMILES: C1=CC(=CC(=C1)OC(F)F)C=O
| PubChem CID | 2736985 |
|---|---|
| CAS | 85684-61-3 |
| Molecular Weight (g/mol) | 172.131 |
| MDL Number | MFCD00236222 |
| SMILES | C1=CC(=CC(=C1)OC(F)F)C=O |
| IUPAC Name | 3-(difluoromethoxy)benzaldehyde |
| InChI Key | HFIUSWPRDIPIPN-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O2 |
3',4'-Dichloropropiophenone, 98%
CAS: 6582-42-9 Molecular Formula: C9H8Cl2O Molecular Weight (g/mol): 203.06 MDL Number: MFCD00000554 InChI Key: AJUAASWQUWIMHM-UHFFFAOYSA-N Synonym: 3',4'-dichloropropiophenone,1-3,4-dichlorophenyl propan-1-one,1-3,4-dichlorophenyl-1-propanone,1-propanone, 1-3,4-dichlorophenyl,1-propanone,1-3,4-dichlorophenyl,enamine_003892,acmc-1b5az,3,4-dichloro propiophenone,1-3,4-dichlorophenyl-1-propanone # PubChem CID: 599598 IUPAC Name: 1-(3,4-dichlorophenyl)propan-1-one SMILES: CC(=O)CC1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 599598 |
|---|---|
| CAS | 6582-42-9 |
| Molecular Weight (g/mol) | 203.06 |
| MDL Number | MFCD00000554 |
| SMILES | CC(=O)CC1=CC=C(Cl)C(Cl)=C1 |
| Synonym | 3',4'-dichloropropiophenone,1-3,4-dichlorophenyl propan-1-one,1-3,4-dichlorophenyl-1-propanone,1-propanone, 1-3,4-dichlorophenyl,1-propanone,1-3,4-dichlorophenyl,enamine_003892,acmc-1b5az,3,4-dichloro propiophenone,1-3,4-dichlorophenyl-1-propanone # |
| IUPAC Name | 1-(3,4-dichlorophenyl)propan-1-one |
| InChI Key | AJUAASWQUWIMHM-UHFFFAOYSA-N |
| Molecular Formula | C9H8Cl2O |
Pentaethylene glycol, 98+%
CAS: 4792-15-8 Molecular Formula: C10H22O6 Molecular Weight (g/mol): 238.28 MDL Number: MFCD00002878 InChI Key: JLFNLZLINWHATN-UHFFFAOYSA-N Synonym: pentaethylene glycol,3,6,9,12-tetraoxatetradecane-1,14-diol,pentaethyleneglycol,pentaglycol,ho ch2ch2o 5h,3,6,9,12-tetraoxatetradocane-1,14-diol,2-2-2-2-2-hydroxyethoxy ethoxy ethoxy ethoxy ethanol,dsstox_cid_7579,dsstox_rid_78510,dsstox_gsid_27579 PubChem CID: 62551 ChEBI: CHEBI:39631 IUPAC Name: 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol SMILES: C(COCCOCCOCCOCCO)O
| PubChem CID | 62551 |
|---|---|
| CAS | 4792-15-8 |
| Molecular Weight (g/mol) | 238.28 |
| ChEBI | CHEBI:39631 |
| MDL Number | MFCD00002878 |
| SMILES | C(COCCOCCOCCOCCO)O |
| Synonym | pentaethylene glycol,3,6,9,12-tetraoxatetradecane-1,14-diol,pentaethyleneglycol,pentaglycol,ho ch2ch2o 5h,3,6,9,12-tetraoxatetradocane-1,14-diol,2-2-2-2-2-hydroxyethoxy ethoxy ethoxy ethoxy ethanol,dsstox_cid_7579,dsstox_rid_78510,dsstox_gsid_27579 |
| IUPAC Name | 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol |
| InChI Key | JLFNLZLINWHATN-UHFFFAOYSA-N |
| Molecular Formula | C10H22O6 |
1-n-Butylcyclohexanol, 98%
CAS: 5445-30-7 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.269 MDL Number: MFCD00021404 InChI Key: RCHLXMOXBJRGNX-UHFFFAOYSA-N Synonym: 1-butylcyclohexanol,cyclohexanol, 1-butyl,1-n-butylcyclohexanol,butylcyclohexanol,1-butyl-cyclohexanol,1-butyl-cyclohexan-1-ol PubChem CID: 138505 IUPAC Name: 1-butylcyclohexan-1-ol SMILES: CCCCC1(CCCCC1)O
| PubChem CID | 138505 |
|---|---|
| CAS | 5445-30-7 |
| Molecular Weight (g/mol) | 156.269 |
| MDL Number | MFCD00021404 |
| SMILES | CCCCC1(CCCCC1)O |
| Synonym | 1-butylcyclohexanol,cyclohexanol, 1-butyl,1-n-butylcyclohexanol,butylcyclohexanol,1-butyl-cyclohexanol,1-butyl-cyclohexan-1-ol |
| IUPAC Name | 1-butylcyclohexan-1-ol |
| InChI Key | RCHLXMOXBJRGNX-UHFFFAOYSA-N |
| Molecular Formula | C10H20O |
2'-Chloroacetophenone, 97%
CAS: 2142-68-9 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.6 MDL Number: MFCD00000560 InChI Key: ZDOYHCIRUPHUHN-UHFFFAOYSA-N Synonym: 2'-chloroacetophenone,1-2-chlorophenyl ethanone,o-chloroacetophenone,1-2-chlorophenyl ethan-1-one,ethanone, 1-2-chlorophenyl,acetophenone, 2'-chloro,o-chloroacetophonone,1-2-chloro-phenyl-ethanone,ethanone, 1-chlorophenyl,1-acetyl-2-chlorobenzene PubChem CID: 72864 IUPAC Name: 1-(2-chlorophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1Cl
| PubChem CID | 72864 |
|---|---|
| CAS | 2142-68-9 |
| Molecular Weight (g/mol) | 154.6 |
| MDL Number | MFCD00000560 |
| SMILES | CC(=O)C1=CC=CC=C1Cl |
| Synonym | 2'-chloroacetophenone,1-2-chlorophenyl ethanone,o-chloroacetophenone,1-2-chlorophenyl ethan-1-one,ethanone, 1-2-chlorophenyl,acetophenone, 2'-chloro,o-chloroacetophonone,1-2-chloro-phenyl-ethanone,ethanone, 1-chlorophenyl,1-acetyl-2-chlorobenzene |
| IUPAC Name | 1-(2-chlorophenyl)ethanone |
| InChI Key | ZDOYHCIRUPHUHN-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO |
1,2,6-Trihydroxyhexane, Spectrum™ Chemical
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CAS: 106-69-4 Molecular Weight (g/mol): 134.18
| CAS | 106-69-4 |
|---|---|
| Molecular Weight (g/mol) | 134.18 |
5-Methoxyisatin, 97%
CAS: 39755-95-8 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00169023 InChI Key: DMHGXMPXHPOXBF-UHFFFAOYSA-N Synonym: 5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci PubChem CID: 38333 SMILES: COC1=CC=C2NC(=O)C(=O)C2=C1
| PubChem CID | 38333 |
|---|---|
| CAS | 39755-95-8 |
| Molecular Weight (g/mol) | 177.16 |
| MDL Number | MFCD00169023 |
| SMILES | COC1=CC=C2NC(=O)C(=O)C2=C1 |
| Synonym | 5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci |
| InChI Key | DMHGXMPXHPOXBF-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO3 |
2,4-Dibromo-3-pentanone, mixture of stereoisomers, 97%
CAS: 815-60-1 Molecular Formula: C5H8Br2O Molecular Weight (g/mol): 243.926 MDL Number: MFCD00015719 InChI Key: UOPIOAUZQKSZRO-UHFFFAOYSA-N Synonym: 2,4-dibromo-3-pentanone,2,4-dibromo-pentan-3-one,3-pentanone,2,4-dibromo,2,4-bis bromanyl pentan-3-one,2,4-dibromo-3-pentanone, mixture of stereoisomers PubChem CID: 11791395 IUPAC Name: 2,4-dibromopentan-3-one SMILES: CC(C(=O)C(C)Br)Br
| PubChem CID | 11791395 |
|---|---|
| CAS | 815-60-1 |
| Molecular Weight (g/mol) | 243.926 |
| MDL Number | MFCD00015719 |
| SMILES | CC(C(=O)C(C)Br)Br |
| Synonym | 2,4-dibromo-3-pentanone,2,4-dibromo-pentan-3-one,3-pentanone,2,4-dibromo,2,4-bis bromanyl pentan-3-one,2,4-dibromo-3-pentanone, mixture of stereoisomers |
| IUPAC Name | 2,4-dibromopentan-3-one |
| InChI Key | UOPIOAUZQKSZRO-UHFFFAOYSA-N |
| Molecular Formula | C5H8Br2O |
Indole-5-carboxaldehyde, 98%
CAS: 1196-69-6 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD02093664 InChI Key: ADZUEEUKBYCSEY-UHFFFAOYSA-N Synonym: indole-5-carboxaldehyde,5-formylindole,indole-5-carbaldehyde,1h-indole-5-carboxaldehyde,5-indolealdehyde,indole-5-aldehyde,5-formyl-1h-indole,5-indolecarboxaldehyde,indole-5-carboxaldehyde 5-formylindole,5-formyl-indole PubChem CID: 589040 IUPAC Name: 1H-indole-5-carbaldehyde SMILES: C1=CC2=C(C=CN2)C=C1C=O
| PubChem CID | 589040 |
|---|---|
| CAS | 1196-69-6 |
| Molecular Weight (g/mol) | 145.161 |
| MDL Number | MFCD02093664 |
| SMILES | C1=CC2=C(C=CN2)C=C1C=O |
| Synonym | indole-5-carboxaldehyde,5-formylindole,indole-5-carbaldehyde,1h-indole-5-carboxaldehyde,5-indolealdehyde,indole-5-aldehyde,5-formyl-1h-indole,5-indolecarboxaldehyde,indole-5-carboxaldehyde 5-formylindole,5-formyl-indole |
| IUPAC Name | 1H-indole-5-carbaldehyde |
| InChI Key | ADZUEEUKBYCSEY-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
Docosanal, 98%
CAS: 57402-36-5 Molecular Formula: C22H44O Molecular Weight (g/mol): 324.59 MDL Number: MFCD07780595 InChI Key: ULCXRAFXRZTNRO-UHFFFAOYSA-N Synonym: behenoyl,n-docosanal,docosyl aldehyde,1-docosanal PubChem CID: 3017068 IUPAC Name: docosanal SMILES: CCCCCCCCCCCCCCCCCCCCCC=O
| PubChem CID | 3017068 |
|---|---|
| CAS | 57402-36-5 |
| Molecular Weight (g/mol) | 324.59 |
| MDL Number | MFCD07780595 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC=O |
| Synonym | behenoyl,n-docosanal,docosyl aldehyde,1-docosanal |
| IUPAC Name | docosanal |
| InChI Key | ULCXRAFXRZTNRO-UHFFFAOYSA-N |
| Molecular Formula | C22H44O |
Isoquinoline-4-carbaldehyde, 97%, Thermo Scientific™
CAS: 22960-16-3 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD00829440 InChI Key: RNQQJLYJLDQGGL-UHFFFAOYSA-N Synonym: isoquinoline-4-carboxaldehyde,4-isoquinolinecarboxaldehyde,4-formylisoquinoline,pubchem15962,acmc-20aig4,4-isoquinolinecarbaldehyde,ksc201k4f,4-isoquinolinecarboxaldehyde 7ci,8ci,9ci PubChem CID: 10868870 IUPAC Name: isoquinoline-4-carbaldehyde SMILES: C1=CC=C2C(=C1)C=NC=C2C=O
| PubChem CID | 10868870 |
|---|---|
| CAS | 22960-16-3 |
| Molecular Weight (g/mol) | 157.172 |
| MDL Number | MFCD00829440 |
| SMILES | C1=CC=C2C(=C1)C=NC=C2C=O |
| Synonym | isoquinoline-4-carboxaldehyde,4-isoquinolinecarboxaldehyde,4-formylisoquinoline,pubchem15962,acmc-20aig4,4-isoquinolinecarbaldehyde,ksc201k4f,4-isoquinolinecarboxaldehyde 7ci,8ci,9ci |
| IUPAC Name | isoquinoline-4-carbaldehyde |
| InChI Key | RNQQJLYJLDQGGL-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO |
3-Methoxypropionitrile, 98%
CAS: 110-67-8 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.11 MDL Number: MFCD00001958 InChI Key: OOWFYDWAMOKVSF-UHFFFAOYSA-N Synonym: 3-methoxypropionitrile,propanenitrile, 3-methoxy,2-cyanoethyl methyl ether,3-methoxypropylnitrile,beta-methoxypropionitrile,1-cyano-2-methoxyethane,propionitrile, 3-methoxy,3-methoxypropannitril,3-methoxypropiononitrile,beta-methyoxypropionitrile PubChem CID: 61032 IUPAC Name: 3-methoxypropanenitrile SMILES: COCCC#N
| PubChem CID | 61032 |
|---|---|
| CAS | 110-67-8 |
| Molecular Weight (g/mol) | 85.11 |
| MDL Number | MFCD00001958 |
| SMILES | COCCC#N |
| Synonym | 3-methoxypropionitrile,propanenitrile, 3-methoxy,2-cyanoethyl methyl ether,3-methoxypropylnitrile,beta-methoxypropionitrile,1-cyano-2-methoxyethane,propionitrile, 3-methoxy,3-methoxypropannitril,3-methoxypropiononitrile,beta-methyoxypropionitrile |
| IUPAC Name | 3-methoxypropanenitrile |
| InChI Key | OOWFYDWAMOKVSF-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO |
2',4'-Dimethoxyacetophenone, 98%
CAS: 829-20-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00008727 InChI Key: VQTDPCRSXHFMOL-UHFFFAOYSA-N Synonym: 2',4'-dimethoxyacetophenone,1-2,4-dimethoxyphenyl ethanone,2,4-dimethoxyacetophenone,1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 1-2,4-dimethoxyphenyl,acetophenone, 2',4'-dimethoxy,peonol methyl ether,1-acetyl-2,4-dimethoxybenzene,pubchem10582,acmc-209pqs PubChem CID: 70016 IUPAC Name: 1-(2,4-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)OC)OC
| PubChem CID | 70016 |
|---|---|
| CAS | 829-20-9 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00008727 |
| SMILES | CC(=O)C1=C(C=C(C=C1)OC)OC |
| Synonym | 2',4'-dimethoxyacetophenone,1-2,4-dimethoxyphenyl ethanone,2,4-dimethoxyacetophenone,1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 1-2,4-dimethoxyphenyl,acetophenone, 2',4'-dimethoxy,peonol methyl ether,1-acetyl-2,4-dimethoxybenzene,pubchem10582,acmc-209pqs |
| IUPAC Name | 1-(2,4-dimethoxyphenyl)ethanone |
| InChI Key | VQTDPCRSXHFMOL-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Tetraethylene glycol monooctyl ether
CAS: 19327-39-0 Molecular Formula: C16H34O5 Molecular Weight (g/mol): 306.443 MDL Number: MFCD00043033 InChI Key: FEOZZFHAVXYAMB-UHFFFAOYSA-N Synonym: 3,6,9,12-tetraoxaeicosan-1-ol,3,6,9,12-tetraoxaicosan-1-ol,tetraethylene glycol monooctyl ether,hydroxyethyloxy tri ethyloxy octane,tetraethylene glycol monoctyl ether,c8e,octyltetraglycol,octyltetraethyleneoxide,d06pvf,octyl tetraethylene glycol ether PubChem CID: 5414 ChEBI: CHEBI:41323 IUPAC Name: 2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethanol SMILES: CCCCCCCCOCCOCCOCCOCCO
| PubChem CID | 5414 |
|---|---|
| CAS | 19327-39-0 |
| Molecular Weight (g/mol) | 306.443 |
| ChEBI | CHEBI:41323 |
| MDL Number | MFCD00043033 |
| SMILES | CCCCCCCCOCCOCCOCCOCCO |
| Synonym | 3,6,9,12-tetraoxaeicosan-1-ol,3,6,9,12-tetraoxaicosan-1-ol,tetraethylene glycol monooctyl ether,hydroxyethyloxy tri ethyloxy octane,tetraethylene glycol monoctyl ether,c8e,octyltetraglycol,octyltetraethyleneoxide,d06pvf,octyl tetraethylene glycol ether |
| IUPAC Name | 2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethanol |
| InChI Key | FEOZZFHAVXYAMB-UHFFFAOYSA-N |
| Molecular Formula | C16H34O5 |
2-Methyl-2-butanol, 99%, pure
CAS: 75-85-4 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004478 InChI Key: MSXVEPNJUHWQHW-UHFFFAOYSA-N Synonym: 2-methyl-2-butanol,tert-amyl alcohol,amylene hydrate,tert-pentyl alcohol,tert-pentanol,t-amyl alcohol,2-butanol, 2-methyl,dimethylethylcarbinol,ethyldimethylcarbinol,tert-isoamyl alcohol PubChem CID: 6405 IUPAC Name: 2-methylbutan-2-ol SMILES: CCC(C)(C)O
| PubChem CID | 6405 |
|---|---|
| CAS | 75-85-4 |
| Molecular Weight (g/mol) | 88.15 |
| MDL Number | MFCD00004478 |
| SMILES | CCC(C)(C)O |
| Synonym | 2-methyl-2-butanol,tert-amyl alcohol,amylene hydrate,tert-pentyl alcohol,tert-pentanol,t-amyl alcohol,2-butanol, 2-methyl,dimethylethylcarbinol,ethyldimethylcarbinol,tert-isoamyl alcohol |
| IUPAC Name | 2-methylbutan-2-ol |
| InChI Key | MSXVEPNJUHWQHW-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |