Organooxygen compounds
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1-Phenyl-1-butanol 98.0+%, TCI America™
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CAS: 614-14-2 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00066173 InChI Key: HQRWWHIETAKIMO-UHFFFAOYSA-N Synonym: alpha-Propylbenzyl Alcohol PubChem CID: 95372 IUPAC Name: 1-phenylbutan-1-ol SMILES: CCCC(C1=CC=CC=C1)O
| PubChem CID | 95372 |
|---|---|
| CAS | 614-14-2 |
| Molecular Weight (g/mol) | 150.221 |
| MDL Number | MFCD00066173 |
| SMILES | CCCC(C1=CC=CC=C1)O |
| Synonym | alpha-Propylbenzyl Alcohol |
| IUPAC Name | 1-phenylbutan-1-ol |
| InChI Key | HQRWWHIETAKIMO-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
1-Heneicosanol 98.0+%, TCI America™
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CAS: 15594-90-8 Molecular Formula: C21H44O Molecular Weight (g/mol): 312.58 MDL Number: MFCD00062834 InChI Key: FIPPFBHCBUDBRR-UHFFFAOYSA-N Synonym: 1-heneicosanol,heneicosanol,henicosanol,1-henicosanol,heneicosyl alcohol,heneicosan-1-ol,n-heneicosanol,n-henicosanol,heneicosylalkohol,henicosyl alcohol PubChem CID: 85014 ChEBI: CHEBI:78410 IUPAC Name: henicosan-1-ol SMILES: CCCCCCCCCCCCCCCCCCCCCO
| PubChem CID | 85014 |
|---|---|
| CAS | 15594-90-8 |
| Molecular Weight (g/mol) | 312.58 |
| ChEBI | CHEBI:78410 |
| MDL Number | MFCD00062834 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCO |
| Synonym | 1-heneicosanol,heneicosanol,henicosanol,1-henicosanol,heneicosyl alcohol,heneicosan-1-ol,n-heneicosanol,n-henicosanol,heneicosylalkohol,henicosyl alcohol |
| IUPAC Name | henicosan-1-ol |
| InChI Key | FIPPFBHCBUDBRR-UHFFFAOYSA-N |
| Molecular Formula | C21H44O |
4-n-Octyloxybenzaldehyde 98.0+%, TCI America™
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CAS: 24083-13-4 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00014136 InChI Key: KVOWZHASDIKNFK-UHFFFAOYSA-N Synonym: 4-octyloxy benzaldehyde,4-octyloxybenzaldehyde,4-n-octyloxybenzaldehyde,p-octyloxybenzaldehyde,benzaldehyde, 4-octyloxy,p-octyloxy benzaldehyde,p-n-octoxy benzaldehyde,p-n-octyloxybenzaldehyde,acmc-209g8t PubChem CID: 90358 IUPAC Name: 4-octoxybenzaldehyde SMILES: CCCCCCCCOC1=CC=C(C=C1)C=O
| PubChem CID | 90358 |
|---|---|
| CAS | 24083-13-4 |
| Molecular Weight (g/mol) | 234.339 |
| MDL Number | MFCD00014136 |
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C=O |
| Synonym | 4-octyloxy benzaldehyde,4-octyloxybenzaldehyde,4-n-octyloxybenzaldehyde,p-octyloxybenzaldehyde,benzaldehyde, 4-octyloxy,p-octyloxy benzaldehyde,p-n-octoxy benzaldehyde,p-n-octyloxybenzaldehyde,acmc-209g8t |
| IUPAC Name | 4-octoxybenzaldehyde |
| InChI Key | KVOWZHASDIKNFK-UHFFFAOYSA-N |
| Molecular Formula | C15H22O2 |
5-Bromo-2-pyridinemethanol 98.0+%, TCI America™
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CAS: 88139-91-7 Molecular Formula: C6H6BrNO Molecular Weight (g/mol): 188.02 MDL Number: MFCD04035597 InChI Key: RUCZFWMEACWFER-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxymethylpyridine,2-hydroxymethyl-5-bromopyridine,5-bromopyridin-2-yl methanol,5-bromo-2-hydroxymethyl pyridine,5-bromopyrid-2-yl methanol,5-bromo-2-pyridinemethanol,5-bromo-pyridin-2-yl-methanol,2-pyridinemethanol, 5-bromo,5-bromo-2-pyridyl methan-1-ol,5-bromopyridine-2-methanol PubChem CID: 5200169 IUPAC Name: (5-bromopyridin-2-yl)methanol SMILES: OCC1=CC=C(Br)C=N1
| PubChem CID | 5200169 |
|---|---|
| CAS | 88139-91-7 |
| Molecular Weight (g/mol) | 188.02 |
| MDL Number | MFCD04035597 |
| SMILES | OCC1=CC=C(Br)C=N1 |
| Synonym | 5-bromo-2-hydroxymethylpyridine,2-hydroxymethyl-5-bromopyridine,5-bromopyridin-2-yl methanol,5-bromo-2-hydroxymethyl pyridine,5-bromopyrid-2-yl methanol,5-bromo-2-pyridinemethanol,5-bromo-pyridin-2-yl-methanol,2-pyridinemethanol, 5-bromo,5-bromo-2-pyridyl methan-1-ol,5-bromopyridine-2-methanol |
| IUPAC Name | (5-bromopyridin-2-yl)methanol |
| InChI Key | RUCZFWMEACWFER-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrNO |
1,4-Bis(2-hydroxyethyl)benzene 98.0+%, TCI America™
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2-Dodecylhexadecan-1-ol 93.0+%, TCI America™
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CAS: 72388-18-2 Molecular Formula: C28H58O Molecular Weight (g/mol): 410.77 MDL Number: MFCD27665210 InChI Key: DEMBLPGWNXUBIQ-UHFFFAOYNA-N Synonym: 2-Dodecylhexadecyl Alcohol PubChem CID: 3018340 IUPAC Name: 2-dodecylhexadecan-1-ol SMILES: CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC
| PubChem CID | 3018340 |
|---|---|
| CAS | 72388-18-2 |
| Molecular Weight (g/mol) | 410.77 |
| MDL Number | MFCD27665210 |
| SMILES | CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC |
| Synonym | 2-Dodecylhexadecyl Alcohol |
| IUPAC Name | 2-dodecylhexadecan-1-ol |
| InChI Key | DEMBLPGWNXUBIQ-UHFFFAOYNA-N |
| Molecular Formula | C28H58O |
4-(tert-Butoxycarbonylamino)cyclohexanol 98.0+%, TCI America™
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CAS: 224309-64-2 Molecular Formula: C11H21NO3 Molecular Weight (g/mol): 215.29 MDL Number: MFCD03844613,MFCD03844614,MFCD06658349 InChI Key: DQARDWKWPIRJEH-UHFFFAOYSA-N Synonym: 4-(Boc-amino)cyclohexanol, tert-Butyl (4-Hydroxycyclohexyl)carbamate, (4-Hydroxycyclohexyl)carbamic Acid tert-Butyl Ester PubChem CID: 1514287 IUPAC Name: tert-butyl N-(4-hydroxycyclohexyl)carbamate SMILES: CC(C)(C)OC(=O)NC1CCC(O)CC1
| PubChem CID | 1514287 |
|---|---|
| CAS | 224309-64-2 |
| Molecular Weight (g/mol) | 215.29 |
| MDL Number | MFCD03844613,MFCD03844614,MFCD06658349 |
| SMILES | CC(C)(C)OC(=O)NC1CCC(O)CC1 |
| Synonym | 4-(Boc-amino)cyclohexanol, tert-Butyl (4-Hydroxycyclohexyl)carbamate, (4-Hydroxycyclohexyl)carbamic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl N-(4-hydroxycyclohexyl)carbamate |
| InChI Key | DQARDWKWPIRJEH-UHFFFAOYSA-N |
| Molecular Formula | C11H21NO3 |
2-(1-Naphthyl)ethanol 95.0+%, TCI America™
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CAS: 773-99-9 Molecular Formula: C12H12O Molecular Weight (g/mol): 172.227 MDL Number: MFCD00004050 InChI Key: RXWNCMHRJCOWDK-UHFFFAOYSA-N Synonym: 1-naphthaleneethanol,2-1-naphthyl ethanol,2-naphthalen-1-yl ethanol,1-2-hydroxyethyl naphthalene,naphthalen-1-ethanol,2-naphthylethanol,1-naphthyl ethanol,1-naphthalene ethanol,2-naphthalen-1-yl ethan-1-ol,1-napthaleneethanol PubChem CID: 13047 IUPAC Name: 2-naphthalen-1-ylethanol SMILES: C1=CC=C2C(=C1)C=CC=C2CCO
| PubChem CID | 13047 |
|---|---|
| CAS | 773-99-9 |
| Molecular Weight (g/mol) | 172.227 |
| MDL Number | MFCD00004050 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2CCO |
| Synonym | 1-naphthaleneethanol,2-1-naphthyl ethanol,2-naphthalen-1-yl ethanol,1-2-hydroxyethyl naphthalene,naphthalen-1-ethanol,2-naphthylethanol,1-naphthyl ethanol,1-naphthalene ethanol,2-naphthalen-1-yl ethan-1-ol,1-napthaleneethanol |
| IUPAC Name | 2-naphthalen-1-ylethanol |
| InChI Key | RXWNCMHRJCOWDK-UHFFFAOYSA-N |
| Molecular Formula | C12H12O |
2-Fluoro-4,5-dimethoxybenzaldehyde 98.0+%, TCI America™
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CAS: 71924-62-4 Molecular Formula: C9H9FO3 Molecular Weight (g/mol): 184.17 MDL Number: MFCD00061108 InChI Key: IBBYQNVXKFMSSI-UHFFFAOYSA-N PubChem CID: 603595 IUPAC Name: 2-fluoro-4,5-dimethoxybenzaldehyde SMILES: COC1=CC(F)=C(C=O)C=C1OC
| PubChem CID | 603595 |
|---|---|
| CAS | 71924-62-4 |
| Molecular Weight (g/mol) | 184.17 |
| MDL Number | MFCD00061108 |
| SMILES | COC1=CC(F)=C(C=O)C=C1OC |
| IUPAC Name | 2-fluoro-4,5-dimethoxybenzaldehyde |
| InChI Key | IBBYQNVXKFMSSI-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO3 |
1,2-Cyclohexanediol (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 931-17-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00003861 InChI Key: PFURGBBHAOXLIO-UHFFFAOYSA-N Synonym: 1,2-cyclohexanediol,2-hydroxycyclohexanol,pyrocatechitol,1,2-dihydroxycyclohexane,brenzkatechin,1,2-benzenediol, hexahydro,brenzkatechin german,1,2-trans-cyclohexanediol,trans-1,2-dihydroxycyclohexane,1,2-cyclohexanediol, mixture of cis and trans PubChem CID: 13601 ChEBI: CHEBI:24567 IUPAC Name: cyclohexane-1,2-diol SMILES: C1CCC(C(C1)O)O
| PubChem CID | 13601 |
|---|---|
| CAS | 931-17-9 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:24567 |
| MDL Number | MFCD00003861 |
| SMILES | C1CCC(C(C1)O)O |
| Synonym | 1,2-cyclohexanediol,2-hydroxycyclohexanol,pyrocatechitol,1,2-dihydroxycyclohexane,brenzkatechin,1,2-benzenediol, hexahydro,brenzkatechin german,1,2-trans-cyclohexanediol,trans-1,2-dihydroxycyclohexane,1,2-cyclohexanediol, mixture of cis and trans |
| IUPAC Name | cyclohexane-1,2-diol |
| InChI Key | PFURGBBHAOXLIO-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
4,4'-Dibromobenzil 97.0+%, TCI America™
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CAS: 35578-47-3 Molecular Formula: C14H8Br2O2 Molecular Weight (g/mol): 368.024 MDL Number: MFCD00000104 InChI Key: NYCBYBDDECLFPE-UHFFFAOYSA-N Synonym: 4,4'-dibromobenzil,ethanedione, bis 4-bromophenyl,p,p'-dibromobenzil,1,2-bis 4-bromophenyl ethane-1,2-dione,benzyl, 4,4'-dibromo,unii-o4txv8a656,bis 4-bromophenyl ethanedione,1,2-ethanedione, 1,2-bis 4-bromophenyl,bis 4-bromophenyl ethane-1,2-dione,1,2-bis-4-bromo-phenyl-ethane-1,2-dione PubChem CID: 96430 IUPAC Name: 1,2-bis(4-bromophenyl)ethane-1,2-dione SMILES: C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br
| PubChem CID | 96430 |
|---|---|
| CAS | 35578-47-3 |
| Molecular Weight (g/mol) | 368.024 |
| MDL Number | MFCD00000104 |
| SMILES | C1=CC(=CC=C1C(=O)C(=O)C2=CC=C(C=C2)Br)Br |
| Synonym | 4,4'-dibromobenzil,ethanedione, bis 4-bromophenyl,p,p'-dibromobenzil,1,2-bis 4-bromophenyl ethane-1,2-dione,benzyl, 4,4'-dibromo,unii-o4txv8a656,bis 4-bromophenyl ethanedione,1,2-ethanedione, 1,2-bis 4-bromophenyl,bis 4-bromophenyl ethane-1,2-dione,1,2-bis-4-bromo-phenyl-ethane-1,2-dione |
| IUPAC Name | 1,2-bis(4-bromophenyl)ethane-1,2-dione |
| InChI Key | NYCBYBDDECLFPE-UHFFFAOYSA-N |
| Molecular Formula | C14H8Br2O2 |
Trimethyl Orthopropionate 97.0+%, TCI America™
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CAS: 24823-81-2 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00043305 InChI Key: ZGMNAIODRDOMEK-UHFFFAOYSA-N Synonym: trimethyl orthopropionate,propane, 1,1,1-trimethoxy,trimethylorthopropionate,trimethoxypropane,acmc-209gew,trimethyl orthopropanoate,propane,1,1,1-trimethoxy,ksc489s6b,zgmnaiodrdomek-uhfffaoysa,orthopropionic acid trimethyl ester PubChem CID: 141145 IUPAC Name: 1,1,1-trimethoxypropane SMILES: CCC(OC)(OC)OC
| PubChem CID | 141145 |
|---|---|
| CAS | 24823-81-2 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00043305 |
| SMILES | CCC(OC)(OC)OC |
| Synonym | trimethyl orthopropionate,propane, 1,1,1-trimethoxy,trimethylorthopropionate,trimethoxypropane,acmc-209gew,trimethyl orthopropanoate,propane,1,1,1-trimethoxy,ksc489s6b,zgmnaiodrdomek-uhfffaoysa,orthopropionic acid trimethyl ester |
| IUPAC Name | 1,1,1-trimethoxypropane |
| InChI Key | ZGMNAIODRDOMEK-UHFFFAOYSA-N |
| Molecular Formula | C6H14O3 |
Methylmalonic Acid 98.0+%, TCI America™
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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 |
tert-Butyl Acetoacetate 95.0+%, TCI America™
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CAS: 1694-31-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00008811 InChI Key: JKUYRAMKJLMYLO-UHFFFAOYSA-N Synonym: tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate PubChem CID: 15538 IUPAC Name: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C
| PubChem CID | 15538 |
|---|---|
| CAS | 1694-31-1 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD00008811 |
| SMILES | CC(=O)CC(=O)OC(C)(C)C |
| Synonym | tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate |
| IUPAC Name | tert-butyl 3-oxobutanoate |
| InChI Key | JKUYRAMKJLMYLO-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
Diethyl sec-Butylmalonate 95.0+%, TCI America™
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CAS: 83-27-2 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00015194 InChI Key: MIIZSUOEOUHAIZ-UHFFFAOYSA-N Synonym: diethyl sec-butylmalonate,diethyl 2-sec-butyl malonate,sec-butylmalonic acid diethyl ester,diethyl 1-methylpropyl malonate,diethyl 1-methylpropylmalonate,sec-butylmalonic acid, diethyl ester,1,3-diethyl 2-sec-butyl propanedioate,diethyl s-butylmalonate,diethylsec-butylmalonate,acmc-209prt PubChem CID: 78940 IUPAC Name: diethyl 2-butan-2-ylpropanedioate SMILES: CCC(C)C(C(=O)OCC)C(=O)OCC
| PubChem CID | 78940 |
|---|---|
| CAS | 83-27-2 |
| Molecular Weight (g/mol) | 216.277 |
| MDL Number | MFCD00015194 |
| SMILES | CCC(C)C(C(=O)OCC)C(=O)OCC |
| Synonym | diethyl sec-butylmalonate,diethyl 2-sec-butyl malonate,sec-butylmalonic acid diethyl ester,diethyl 1-methylpropyl malonate,diethyl 1-methylpropylmalonate,sec-butylmalonic acid, diethyl ester,1,3-diethyl 2-sec-butyl propanedioate,diethyl s-butylmalonate,diethylsec-butylmalonate,acmc-209prt |
| IUPAC Name | diethyl 2-butan-2-ylpropanedioate |
| InChI Key | MIIZSUOEOUHAIZ-UHFFFAOYSA-N |
| Molecular Formula | C11H20O4 |