Organooxygen compounds
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2-Methylcyclohexanol, 99%, mixture of cis and trans
CAS: 583-59-5 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.19 MDL Number: MFCD00001443 InChI Key: NDVWOBYBJYUSMF-UHFFFAOYSA-N Synonym: 2-methylcyclohexanol,cyclohexanol, 2-methyl,o-methylcyclohexanol,1-methyl-2-cyclohexanol,2-methyl-1-cyclohexanol,2-methylcyclohexyl alcohol,cyclohexanol, o-methyl,cis-2-methylcyclohexanol,2-methyl-cyclohexanol,2-methylcyclohexanol, mixed isomers PubChem CID: 11418 IUPAC Name: 2-methylcyclohexan-1-ol SMILES: CC1CCCCC1O
| PubChem CID | 11418 |
|---|---|
| CAS | 583-59-5 |
| Molecular Weight (g/mol) | 114.19 |
| MDL Number | MFCD00001443 |
| SMILES | CC1CCCCC1O |
| Synonym | 2-methylcyclohexanol,cyclohexanol, 2-methyl,o-methylcyclohexanol,1-methyl-2-cyclohexanol,2-methyl-1-cyclohexanol,2-methylcyclohexyl alcohol,cyclohexanol, o-methyl,cis-2-methylcyclohexanol,2-methyl-cyclohexanol,2-methylcyclohexanol, mixed isomers |
| IUPAC Name | 2-methylcyclohexan-1-ol |
| InChI Key | NDVWOBYBJYUSMF-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |
2-Methyl-2,4-pentanediol, 99%
CAS: 107-41-5 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00004547 InChI Key: SVTBMSDMJJWYQN-UHFFFAOYSA-N Synonym: hexylene glycol,2-methyl-2,4-pentanediol,pinakon,2,4-dihydroxy-2-methylpentane,2,4-pentanediol, 2-methyl,diolane,isol,4-methyl-2,4-pentanediol,1,1,3-trimethyltrimethylenediol,2-methyl pentane-2,4-diol PubChem CID: 7870 ChEBI: CHEBI:62995 IUPAC Name: 2-methylpentane-2,4-diol SMILES: CC(CC(C)(C)O)O
| PubChem CID | 7870 |
|---|---|
| CAS | 107-41-5 |
| Molecular Weight (g/mol) | 118.18 |
| ChEBI | CHEBI:62995 |
| MDL Number | MFCD00004547 |
| SMILES | CC(CC(C)(C)O)O |
| Synonym | hexylene glycol,2-methyl-2,4-pentanediol,pinakon,2,4-dihydroxy-2-methylpentane,2,4-pentanediol, 2-methyl,diolane,isol,4-methyl-2,4-pentanediol,1,1,3-trimethyltrimethylenediol,2-methyl pentane-2,4-diol |
| IUPAC Name | 2-methylpentane-2,4-diol |
| InChI Key | SVTBMSDMJJWYQN-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
3,5-Di-tert-butyl-4-hydroxybenzaldehyde 98.0+%, TCI America™
CAS: 1620-98-0 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00008826 InChI Key: DOZRDZLFLOODMB-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzaldehyde,3,5-di-t-butyl-4-hydroxybenzaldehyde,unii-95vti93vul,benzaldehyde, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzaldehyde, 3,5-di-tert-butyl-4-hydroxy,95vti93vul,3,5-ditert-butyl-4-hydroxy-benzaldehyde,3,5-di tert-butyl-4-hydroxybenzaldehyde,3,5-di-tert-butyl-4-hydroxy-benzaldehyde,3,5-bis tert-butyl-4-hydroxybenzaldehyde PubChem CID: 73219 IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzaldehyde SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O
| PubChem CID | 73219 |
|---|---|
| CAS | 1620-98-0 |
| Molecular Weight (g/mol) | 234.339 |
| MDL Number | MFCD00008826 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O |
| Synonym | 3,5-di-tert-butyl-4-hydroxybenzaldehyde,3,5-di-t-butyl-4-hydroxybenzaldehyde,unii-95vti93vul,benzaldehyde, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzaldehyde, 3,5-di-tert-butyl-4-hydroxy,95vti93vul,3,5-ditert-butyl-4-hydroxy-benzaldehyde,3,5-di tert-butyl-4-hydroxybenzaldehyde,3,5-di-tert-butyl-4-hydroxy-benzaldehyde,3,5-bis tert-butyl-4-hydroxybenzaldehyde |
| IUPAC Name | 3,5-ditert-butyl-4-hydroxybenzaldehyde |
| InChI Key | DOZRDZLFLOODMB-UHFFFAOYSA-N |
| Molecular Formula | C15H22O2 |
2-Mercaptoethanol, 98+%
CAS: 60-24-2 Molecular Formula: C2H6OS Molecular Weight (g/mol): 78.13 MDL Number: MFCD00004890 InChI Key: DGVVWUTYPXICAM-UHFFFAOYSA-N Synonym: 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan PubChem CID: 1567 ChEBI: CHEBI:41218 SMILES: OCCS
| PubChem CID | 1567 |
|---|---|
| CAS | 60-24-2 |
| Molecular Weight (g/mol) | 78.13 |
| ChEBI | CHEBI:41218 |
| MDL Number | MFCD00004890 |
| SMILES | OCCS |
| Synonym | 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan |
| InChI Key | DGVVWUTYPXICAM-UHFFFAOYSA-N |
| Molecular Formula | C2H6OS |
4'-Bromoacetophenone, 98%
CAS: 99-90-1 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.05 MDL Number: MFCD00000105 InChI Key: WYECURVXVYPVAT-UHFFFAOYSA-N Synonym: 4'-bromoacetophenone,1-4-bromophenyl ethanone,p-bromoacetophenone,4-bromoacetophenone,ethanone, 1-4-bromophenyl,1-4-bromophenyl ethan-1-one,1-acetyl-4-bromobenzene,methyl p-bromophenyl ketone,p-bromophenyl methyl ketone,acetophenone, 4'-bromo PubChem CID: 7466 IUPAC Name: 1-(4-bromophenyl)ethanone SMILES: CC(=O)C1=CC=C(Br)C=C1
| PubChem CID | 7466 |
|---|---|
| CAS | 99-90-1 |
| Molecular Weight (g/mol) | 199.05 |
| MDL Number | MFCD00000105 |
| SMILES | CC(=O)C1=CC=C(Br)C=C1 |
| Synonym | 4'-bromoacetophenone,1-4-bromophenyl ethanone,p-bromoacetophenone,4-bromoacetophenone,ethanone, 1-4-bromophenyl,1-4-bromophenyl ethan-1-one,1-acetyl-4-bromobenzene,methyl p-bromophenyl ketone,p-bromophenyl methyl ketone,acetophenone, 4'-bromo |
| IUPAC Name | 1-(4-bromophenyl)ethanone |
| InChI Key | WYECURVXVYPVAT-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |
3-Methoxypropionitrile, 99%
CAS: 110-67-8 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.106 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) | 85.106 |
| 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 |
1-Indanone, 99+%
CAS: 83-33-0 Molecular Formula: C9H8O Molecular Weight (g/mol): 132.16 InChI Key: QNXSIUBBGPHDDE-UHFFFAOYSA-N Synonym: 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone PubChem CID: 6735 ChEBI: CHEBI:17404 IUPAC Name: 2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=CC=CC=C21
| PubChem CID | 6735 |
|---|---|
| CAS | 83-33-0 |
| Molecular Weight (g/mol) | 132.16 |
| ChEBI | CHEBI:17404 |
| SMILES | C1CC(=O)C2=CC=CC=C21 |
| Synonym | 1-indanone,indan-1-one,2,3-dihydro-1h-inden-1-one,indanone,alpha-indanone,alpha-hydrindone,1h-inden-1-one, 2,3-dihydro,1-indone,hydrindone,.alpha.-indanone |
| IUPAC Name | 2,3-dihydroinden-1-one |
| InChI Key | QNXSIUBBGPHDDE-UHFFFAOYSA-N |
| Molecular Formula | C9H8O |
1-Tetradecanol, 99%
CAS: 112-72-1 Molecular Formula: C14H30O Molecular Weight (g/mol): 214.39 MDL Number: MFCD00004757 InChI Key: HLZKNKRTKFSKGZ-UHFFFAOYSA-N Synonym: 1-tetradecanol,myristyl alcohol,tetradecanol,tetradecyl alcohol,n-tetradecanol,myristic alcohol,n-tetradecyl alcohol,lanette k,loxanol v,lanette wax ks PubChem CID: 8209 ChEBI: CHEBI:77417 IUPAC Name: tetradecan-1-ol SMILES: CCCCCCCCCCCCCCO
| PubChem CID | 8209 |
|---|---|
| CAS | 112-72-1 |
| Molecular Weight (g/mol) | 214.39 |
| ChEBI | CHEBI:77417 |
| MDL Number | MFCD00004757 |
| SMILES | CCCCCCCCCCCCCCO |
| Synonym | 1-tetradecanol,myristyl alcohol,tetradecanol,tetradecyl alcohol,n-tetradecanol,myristic alcohol,n-tetradecyl alcohol,lanette k,loxanol v,lanette wax ks |
| IUPAC Name | tetradecan-1-ol |
| InChI Key | HLZKNKRTKFSKGZ-UHFFFAOYSA-N |
| Molecular Formula | C14H30O |
L-Ascorbic acid 6-palmitate, 99%
CAS: 137-66-6 Molecular Formula: C22H38O7 Molecular Weight (g/mol): 414.54 MDL Number: MFCD00005377 InChI Key: NULLRXHRYOXSEW-UHFFFAOYNA-N Synonym: ascorbyl palmitate,l-ascorbyl 6-palmitate,6-o-palmitoyl-l-ascorbic acid,ascorbic palmitate,l-ascorbyl palmitate,unii-qn83us2b0n,ascorbyl monopalmitate,l-ascorbic acid 6-palmitate,s-2-r-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl-2-hydroxyethyl palmitate,ascorbyl palmitate nf PubChem CID: 54680660 IUPAC Name: [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O
| PubChem CID | 54680660 |
|---|---|
| CAS | 137-66-6 |
| Molecular Weight (g/mol) | 414.54 |
| MDL Number | MFCD00005377 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O |
| Synonym | ascorbyl palmitate,l-ascorbyl 6-palmitate,6-o-palmitoyl-l-ascorbic acid,ascorbic palmitate,l-ascorbyl palmitate,unii-qn83us2b0n,ascorbyl monopalmitate,l-ascorbic acid 6-palmitate,s-2-r-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl-2-hydroxyethyl palmitate,ascorbyl palmitate nf |
| IUPAC Name | [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] hexadecanoate |
| InChI Key | NULLRXHRYOXSEW-UHFFFAOYNA-N |
| Molecular Formula | C22H38O7 |
Phenethyl alcohol, 99%
CAS: 60-12-8 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002886 InChI Key: WRMNZCZEMHIOCP-UHFFFAOYSA-N Synonym: phenethyl alcohol,benzeneethanol,phenylethyl alcohol,benzyl carbinol,phenylethanol,phenethanol,2-phenylethyl alcohol,2-phenyl-ethanol,beta-phenylethanol,2-phenylethan-1-ol PubChem CID: 6054 ChEBI: CHEBI:49000 SMILES: OCCC1=CC=CC=C1
| PubChem CID | 6054 |
|---|---|
| CAS | 60-12-8 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:49000 |
| MDL Number | MFCD00002886 |
| SMILES | OCCC1=CC=CC=C1 |
| Synonym | phenethyl alcohol,benzeneethanol,phenylethyl alcohol,benzyl carbinol,phenylethanol,phenethanol,2-phenylethyl alcohol,2-phenyl-ethanol,beta-phenylethanol,2-phenylethan-1-ol |
| InChI Key | WRMNZCZEMHIOCP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
1-Pentanol, 99%, pure
CAS: 71-41-0 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002977,MFCD00081734,MFCD01075169 InChI Key: AMQJEAYHLZJPGS-UHFFFAOYSA-N Synonym: 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol PubChem CID: 6276 ChEBI: CHEBI:44884 IUPAC Name: pentan-1-ol SMILES: CCCCCO
| PubChem CID | 6276 |
|---|---|
| CAS | 71-41-0 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:44884 |
| MDL Number | MFCD00002977,MFCD00081734,MFCD01075169 |
| SMILES | CCCCCO |
| Synonym | 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol |
| IUPAC Name | pentan-1-ol |
| InChI Key | AMQJEAYHLZJPGS-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
Methylmalonic acid, 96%
CAS: 516-05-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00002656 InChI Key: ZIYVHBGGAOATLY-UHFFFAOYSA-N Synonym: methylmalonic acid,2-methylmalonic acid,isosuccinic acid,methylmalonate,propanedioic acid, methyl,1,1-ethanedicarboxylic acid,malonic acid, methyl,methyl malonic acid,methylpropanedioic acid,unii-8ll8s712j7 PubChem CID: 487 ChEBI: CHEBI:30860 IUPAC Name: 2-methylpropanedioic acid SMILES: CC(C(O)=O)C(O)=O
| PubChem CID | 487 |
|---|---|
| CAS | 516-05-2 |
| Molecular Weight (g/mol) | 118.09 |
| ChEBI | CHEBI:30860 |
| MDL Number | MFCD00002656 |
| SMILES | CC(C(O)=O)C(O)=O |
| Synonym | methylmalonic acid,2-methylmalonic acid,isosuccinic acid,methylmalonate,propanedioic acid, methyl,1,1-ethanedicarboxylic acid,malonic acid, methyl,methyl malonic acid,methylpropanedioic acid,unii-8ll8s712j7 |
| IUPAC Name | 2-methylpropanedioic acid |
| InChI Key | ZIYVHBGGAOATLY-UHFFFAOYSA-N |
| Molecular Formula | C4H6O4 |
Hydrindantin dihydrate, 96%
CAS: 5950-69-6 Molecular Formula: C18H14O8 Molecular Weight (g/mol): 358.29 MDL Number: MFCD00149242 InChI Key: QHVADKNWNMILPQ-HOTGVXAUSA-N Synonym: 2s-2,3,3-trihydroxy-2-2s-1,1,2-trihydroxy-3-oxoinden-2-yl inden-1-one PubChem CID: 6560392 IUPAC Name: (2S)-2,3,3-trihydroxy-2-[(2S)-1,1,2-trihydroxy-3-oxoinden-2-yl]inden-1-one SMILES: C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O
| PubChem CID | 6560392 |
|---|---|
| CAS | 5950-69-6 |
| Molecular Weight (g/mol) | 358.29 |
| MDL Number | MFCD00149242 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O |
| Synonym | 2s-2,3,3-trihydroxy-2-2s-1,1,2-trihydroxy-3-oxoinden-2-yl inden-1-one |
| IUPAC Name | (2S)-2,3,3-trihydroxy-2-[(2S)-1,1,2-trihydroxy-3-oxoinden-2-yl]inden-1-one |
| InChI Key | QHVADKNWNMILPQ-HOTGVXAUSA-N |
| Molecular Formula | C18H14O8 |
Pentaerythritol, 98+%
CAS: 115-77-5 Molecular Formula: C5H12O4 Molecular Weight (g/mol): 136.147 MDL Number: MFCD00004692 InChI Key: WXZMFSXDPGVJKK-UHFFFAOYSA-N Synonym: pentaerythritol,pentek,2,2-bis hydroxymethyl propane-1,3-diol,tetramethylolmethane,monopentaerythritol,auxinutril,maxinutril,monopentek,pentaerythrite,penetek PubChem CID: 8285 IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol SMILES: C(C(CO)(CO)CO)O
| PubChem CID | 8285 |
|---|---|
| CAS | 115-77-5 |
| Molecular Weight (g/mol) | 136.147 |
| MDL Number | MFCD00004692 |
| SMILES | C(C(CO)(CO)CO)O |
| Synonym | pentaerythritol,pentek,2,2-bis hydroxymethyl propane-1,3-diol,tetramethylolmethane,monopentaerythritol,auxinutril,maxinutril,monopentek,pentaerythrite,penetek |
| IUPAC Name | 2,2-bis(hydroxymethyl)propane-1,3-diol |
| InChI Key | WXZMFSXDPGVJKK-UHFFFAOYSA-N |
| Molecular Formula | C5H12O4 |
Isopropyl ether, for analysis, stabilized
CAS: 108-20-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00008880 InChI Key: ZAFNJMIOTHYJRJ-UHFFFAOYSA-N Synonym: diisopropyl ether,isopropyl ether,propane, 2,2'-oxybis,2-isopropoxypropane,diisopropyl oxide,diisopropylether,ether, isopropyl,2,2'-oxydipropane,isopropylether,bis isopropyl ether PubChem CID: 7914 IUPAC Name: 2-propan-2-yloxypropane SMILES: CC(C)OC(C)C
| PubChem CID | 7914 |
|---|---|
| CAS | 108-20-3 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00008880 |
| SMILES | CC(C)OC(C)C |
| Synonym | diisopropyl ether,isopropyl ether,propane, 2,2'-oxybis,2-isopropoxypropane,diisopropyl oxide,diisopropylether,ether, isopropyl,2,2'-oxydipropane,isopropylether,bis isopropyl ether |
| IUPAC Name | 2-propan-2-yloxypropane |
| InChI Key | ZAFNJMIOTHYJRJ-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |