Organooxygen compounds
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Atrolactic Acid Hydrate 98.0+%, TCI America™
CAS: 515-30-0 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00004451 InChI Key: NWCHELUCVWSRRS-UHFFFAOYSA-N Synonym: atrolactic acid,2-phenyllactic acid,2-hydroxy-2-phenylpropionic acid,alpha-methylmandelic acid,phenyllactic acid,2-phenyl-2-hydroxypropionic acid,dl-atrolactic acid,alpha-hydroxy-alpha-phenylpropionic acid,mandelic acid, .alpha.-methyl,benzeneacetic acid, .alpha.-hydroxy-.alpha.-methyl PubChem CID: 1303 ChEBI: CHEBI:50392 IUPAC Name: 2-hydroxy-2-phenylpropanoic acid SMILES: CC(C1=CC=CC=C1)(C(=O)O)O
| PubChem CID | 1303 |
|---|---|
| CAS | 515-30-0 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:50392 |
| MDL Number | MFCD00004451 |
| SMILES | CC(C1=CC=CC=C1)(C(=O)O)O |
| Synonym | atrolactic acid,2-phenyllactic acid,2-hydroxy-2-phenylpropionic acid,alpha-methylmandelic acid,phenyllactic acid,2-phenyl-2-hydroxypropionic acid,dl-atrolactic acid,alpha-hydroxy-alpha-phenylpropionic acid,mandelic acid, .alpha.-methyl,benzeneacetic acid, .alpha.-hydroxy-.alpha.-methyl |
| IUPAC Name | 2-hydroxy-2-phenylpropanoic acid |
| InChI Key | NWCHELUCVWSRRS-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Triethylene Glycol Butyl Methyl Ether 98.0+%, TCI America™
CAS: 7382-30-1 Molecular Formula: C11H24O4 Molecular Weight (g/mol): 220.31 MDL Number: MFCD23703159 InChI Key: SNAQINZKMQFYFV-UHFFFAOYSA-N Synonym: 1-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]butane PubChem CID: 18344639 IUPAC Name: 2,5,8,11-tetraoxapentadecane SMILES: CCCCOCCOCCOCCOC
| PubChem CID | 18344639 |
|---|---|
| CAS | 7382-30-1 |
| Molecular Weight (g/mol) | 220.31 |
| MDL Number | MFCD23703159 |
| SMILES | CCCCOCCOCCOCCOC |
| Synonym | 1-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]butane |
| IUPAC Name | 2,5,8,11-tetraoxapentadecane |
| InChI Key | SNAQINZKMQFYFV-UHFFFAOYSA-N |
| Molecular Formula | C11H24O4 |
3,3-Dimethyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine 95.0+%, TCI America™
CAS: 255901-50-9 Molecular Formula: C9H12O2S Molecular Weight (g/mol): 184.25 MDL Number: MFCD08705268 InChI Key: PUEUIEYRIVFGLS-UHFFFAOYSA-N Synonym: 3,4-(2,2′-Dimethylpropylenedioxy)thiophene PubChem CID: 9834140 IUPAC Name: 3,3-dimethyl-2H,3H,4H-thieno[3,4-b][1,4]dioxepine SMILES: CC1(C)COC2=CSC=C2OC1
| PubChem CID | 9834140 |
|---|---|
| CAS | 255901-50-9 |
| Molecular Weight (g/mol) | 184.25 |
| MDL Number | MFCD08705268 |
| SMILES | CC1(C)COC2=CSC=C2OC1 |
| Synonym | 3,4-(2,2′-Dimethylpropylenedioxy)thiophene |
| IUPAC Name | 3,3-dimethyl-2H,3H,4H-thieno[3,4-b][1,4]dioxepine |
| InChI Key | PUEUIEYRIVFGLS-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2S |
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 |
6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic Acid 97.0+%, TCI America™
CAS: 55453-87-7 Molecular Formula: C16H12O4 Molecular Weight (g/mol): 268.268 MDL Number: MFCD00242952 InChI Key: QFGMXJOBTNZHEL-UHFFFAOYSA-N Synonym: 6H-11-Oxodibenzo[b,e]oxepin-2-acetic Acid, Isoxepac PubChem CID: 41448 IUPAC Name: 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid SMILES: C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)CC(=O)O
| PubChem CID | 41448 |
|---|---|
| CAS | 55453-87-7 |
| Molecular Weight (g/mol) | 268.268 |
| MDL Number | MFCD00242952 |
| SMILES | C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)CC(=O)O |
| Synonym | 6H-11-Oxodibenzo[b,e]oxepin-2-acetic Acid, Isoxepac |
| IUPAC Name | 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid |
| InChI Key | QFGMXJOBTNZHEL-UHFFFAOYSA-N |
| Molecular Formula | C16H12O4 |
Diethylene Glycol Monohexyl Ether 98.0+%, TCI America™
CAS: 112-59-4 Molecular Formula: C10H22O3 Molecular Weight (g/mol): 190.28 MDL Number: MFCD00010703 InChI Key: GZMAAYIALGURDQ-UHFFFAOYSA-N Synonym: diethylene glycol monohexyl ether,2-2-hexyloxyethoxy ethanol,hexol carbitol,hexyl carbitol,n-hexyl carbitol,n-hexoxyethoxyethanol,3,6-dioxadodecanol-1,ethanol, 2-2-hexyloxy ethoxy,hexyldiglycol,hexylkarbitol PubChem CID: 8199 IUPAC Name: 2-[2-(hexyloxy)ethoxy]ethan-1-ol SMILES: CCCCCCOCCOCCO
| PubChem CID | 8199 |
|---|---|
| CAS | 112-59-4 |
| Molecular Weight (g/mol) | 190.28 |
| MDL Number | MFCD00010703 |
| SMILES | CCCCCCOCCOCCO |
| Synonym | diethylene glycol monohexyl ether,2-2-hexyloxyethoxy ethanol,hexol carbitol,hexyl carbitol,n-hexyl carbitol,n-hexoxyethoxyethanol,3,6-dioxadodecanol-1,ethanol, 2-2-hexyloxy ethoxy,hexyldiglycol,hexylkarbitol |
| IUPAC Name | 2-[2-(hexyloxy)ethoxy]ethan-1-ol |
| InChI Key | GZMAAYIALGURDQ-UHFFFAOYSA-N |
| Molecular Formula | C10H22O3 |
Methylionone (mixture of alpha- and beta-, predominantly alpha-n-isomer) 80.0+%, TCI America™
CAS: 7779-30-8 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.329 MDL Number: MFCD00031478 InChI Key: VPKMGDRERYMTJX-CMDGGOBGSA-N PubChem CID: 5371084 IUPAC Name: (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one SMILES: CCC(=O)C=CC1C(=CCCC1(C)C)C
| PubChem CID | 5371084 |
|---|---|
| CAS | 7779-30-8 |
| Molecular Weight (g/mol) | 206.329 |
| MDL Number | MFCD00031478 |
| SMILES | CCC(=O)C=CC1C(=CCCC1(C)C)C |
| IUPAC Name | (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one |
| InChI Key | VPKMGDRERYMTJX-CMDGGOBGSA-N |
| Molecular Formula | C14H22O |
7-(Trifluoromethyl)isatin 98.0+%, TCI America™
CAS: 391-12-8 Molecular Formula: C9H4F3NO2 Molecular Weight (g/mol): 215.131 MDL Number: MFCD01248408 InChI Key: MXLDJTXXAYVWDF-UHFFFAOYSA-N Synonym: 7-(Trifluoromethyl)indole-2,3-dione, 7-(Trifluoromethyl)-2,3-indolinedione PubChem CID: 604575 IUPAC Name: 7-(trifluoromethyl)-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)C2=O
| PubChem CID | 604575 |
|---|---|
| CAS | 391-12-8 |
| Molecular Weight (g/mol) | 215.131 |
| MDL Number | MFCD01248408 |
| SMILES | C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)C2=O |
| Synonym | 7-(Trifluoromethyl)indole-2,3-dione, 7-(Trifluoromethyl)-2,3-indolinedione |
| IUPAC Name | 7-(trifluoromethyl)-1H-indole-2,3-dione |
| InChI Key | MXLDJTXXAYVWDF-UHFFFAOYSA-N |
| Molecular Formula | C9H4F3NO2 |
1-Phenylcyclohexanol 98.0+%, TCI America™
CAS: 1589-60-2 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.259 MDL Number: MFCD00021393 InChI Key: DTTDXHDYTWQDCS-UHFFFAOYSA-N Synonym: 1-phenylcyclohexanol,cyclohexanol, 1-phenyl,1-phenyl-1-cyclohexanol,phenylcyclohexanol,cyclohexanol, phenyl,1-phenylcyclohexanol-1,1-phenyl-cyclohexanol,maybridge1_002485,1-phenyl-cyclohexan-1-ol,acmc-209dj8 PubChem CID: 15319 IUPAC Name: 1-phenylcyclohexan-1-ol SMILES: C1CCC(CC1)(C2=CC=CC=C2)O
| PubChem CID | 15319 |
|---|---|
| CAS | 1589-60-2 |
| Molecular Weight (g/mol) | 176.259 |
| MDL Number | MFCD00021393 |
| SMILES | C1CCC(CC1)(C2=CC=CC=C2)O |
| Synonym | 1-phenylcyclohexanol,cyclohexanol, 1-phenyl,1-phenyl-1-cyclohexanol,phenylcyclohexanol,cyclohexanol, phenyl,1-phenylcyclohexanol-1,1-phenyl-cyclohexanol,maybridge1_002485,1-phenyl-cyclohexan-1-ol,acmc-209dj8 |
| IUPAC Name | 1-phenylcyclohexan-1-ol |
| InChI Key | DTTDXHDYTWQDCS-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
Ethyl D-(-)-Mandelate 98.0+%, TCI America™
CAS: 10606-72-1 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00064248 InChI Key: SAXHIDRUJXPDOD-SECBINFHSA-N Synonym: D-(-)-Mandelic Acid Ethyl Ester PubChem CID: 6951556 ChEBI: CHEBI:78406 IUPAC Name: ethyl (2R)-2-hydroxy-2-phenylacetate SMILES: CCOC(=O)C(C1=CC=CC=C1)O
| PubChem CID | 6951556 |
|---|---|
| CAS | 10606-72-1 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:78406 |
| MDL Number | MFCD00064248 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1)O |
| Synonym | D-(-)-Mandelic Acid Ethyl Ester |
| IUPAC Name | ethyl (2R)-2-hydroxy-2-phenylacetate |
| InChI Key | SAXHIDRUJXPDOD-SECBINFHSA-N |
| Molecular Formula | C10H12O3 |
2',4',6'-Trihydroxypropiophenone 98.0+%, TCI America™
CAS: 2295-58-1 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00016456 InChI Key: PTHLEKANMPKYDB-UHFFFAOYSA-N Synonym: Flopropione, Phlopropiophenone PubChem CID: 3362 IUPAC Name: 1-(2,4,6-trihydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=C(O)C=C(O)C=C1O
| PubChem CID | 3362 |
|---|---|
| CAS | 2295-58-1 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00016456 |
| SMILES | CCC(=O)C1=C(O)C=C(O)C=C1O |
| Synonym | Flopropione, Phlopropiophenone |
| IUPAC Name | 1-(2,4,6-trihydroxyphenyl)propan-1-one |
| InChI Key | PTHLEKANMPKYDB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
2-Amino-6-ethoxybenzothiazole 97.0+%, TCI America™
CAS: 94-45-1 Molecular Formula: C9H10N2OS Molecular Weight (g/mol): 194.252 MDL Number: MFCD00005788 InChI Key: KOYJWFGMEBETBU-UHFFFAOYSA-N Synonym: 2-amino-6-ethoxybenzothiazole,2-benzothiazolamine, 6-ethoxy,6-ethoxy-2-aminobenzothiazole,6-ethoxy-benzothiazol-2-ylamine,6-ethoxy-2-benzothiazolamine,6-ethoxybenzothiazol-2-ylamine,benzothiazole, 2-amino-6-ethoxy,unii-d621hz191d,amino-6-ethoxybenzothiazole, 2,2-benzothiazolamine, 6-ethoxy-9ci PubChem CID: 7192 IUPAC Name: 6-ethoxy-1,3-benzothiazol-2-amine SMILES: CCOC1=CC2=C(C=C1)N=C(S2)N
| PubChem CID | 7192 |
|---|---|
| CAS | 94-45-1 |
| Molecular Weight (g/mol) | 194.252 |
| MDL Number | MFCD00005788 |
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)N |
| Synonym | 2-amino-6-ethoxybenzothiazole,2-benzothiazolamine, 6-ethoxy,6-ethoxy-2-aminobenzothiazole,6-ethoxy-benzothiazol-2-ylamine,6-ethoxy-2-benzothiazolamine,6-ethoxybenzothiazol-2-ylamine,benzothiazole, 2-amino-6-ethoxy,unii-d621hz191d,amino-6-ethoxybenzothiazole, 2,2-benzothiazolamine, 6-ethoxy-9ci |
| IUPAC Name | 6-ethoxy-1,3-benzothiazol-2-amine |
| InChI Key | KOYJWFGMEBETBU-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2OS |
3-Nonen-2-one 96.0+%, TCI America™
CAS: 14309-57-0 Molecular Formula: C9H16O Molecular Weight (g/mol): 140.23 MDL Number: MFCD00010241 InChI Key: HDKLIZDXVUCLHQ-BQYQJAHWSA-N Synonym: 3-nonen-2-one,trans-3-nonen-2-one,e-non-3-en-2-one,e-3-nonen-2-one,3-nonen-2-one, 3e,3e-3-nonen-2-one,3e-non-3-en-2-one,unii-fr0k39of16,3e-nonen-2-one,3-nonen-2-one fhfi PubChem CID: 5317045 IUPAC Name: (3E)-non-3-en-2-one SMILES: CCCCC\C=C\C(C)=O
| PubChem CID | 5317045 |
|---|---|
| CAS | 14309-57-0 |
| Molecular Weight (g/mol) | 140.23 |
| MDL Number | MFCD00010241 |
| SMILES | CCCCC\C=C\C(C)=O |
| Synonym | 3-nonen-2-one,trans-3-nonen-2-one,e-non-3-en-2-one,e-3-nonen-2-one,3-nonen-2-one, 3e,3e-3-nonen-2-one,3e-non-3-en-2-one,unii-fr0k39of16,3e-nonen-2-one,3-nonen-2-one fhfi |
| IUPAC Name | (3E)-non-3-en-2-one |
| InChI Key | HDKLIZDXVUCLHQ-BQYQJAHWSA-N |
| Molecular Formula | C9H16O |
2-Amino-4'-bromoacetophenone Hydrochloride 98.0+%, TCI America™
CAS: 5467-72-1 Molecular Formula: C8H9BrClNO Molecular Weight (g/mol): 250.52 MDL Number: MFCD00051998 InChI Key: ROAVTVXTYFSQEA-UHFFFAOYSA-N Synonym: 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl PubChem CID: 2798216 IUPAC Name: 2-amino-1-(4-bromophenyl)ethanone;hydrochloride SMILES: C1=CC(=CC=C1C(=O)CN)Br.Cl
| PubChem CID | 2798216 |
|---|---|
| CAS | 5467-72-1 |
| Molecular Weight (g/mol) | 250.52 |
| MDL Number | MFCD00051998 |
| SMILES | C1=CC(=CC=C1C(=O)CN)Br.Cl |
| Synonym | 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl |
| IUPAC Name | 2-amino-1-(4-bromophenyl)ethanone;hydrochloride |
| InChI Key | ROAVTVXTYFSQEA-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrClNO |
2-Ethoxybenzaldehyde 98.0+%, TCI America™
CAS: 613-69-4 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00003316 InChI Key: DUVJMSPTZMCSTQ-UHFFFAOYSA-N Synonym: benzaldehyde, 2-ethoxy,o-ethoxybenzaldehyde,2-ethoxy benzaldehyde,benzaldehyde, o-ethoxy,2-ethoxy-benzaldehyde,benzaldehyde, ethoxy,ethoxy benzaldehyde,pubchem9726,ortho-ethoxybenzaldehyde,acmc-209ms1 PubChem CID: 11950 IUPAC Name: 2-ethoxybenzaldehyde SMILES: CCOC1=CC=CC=C1C=O
| PubChem CID | 11950 |
|---|---|
| CAS | 613-69-4 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00003316 |
| SMILES | CCOC1=CC=CC=C1C=O |
| Synonym | benzaldehyde, 2-ethoxy,o-ethoxybenzaldehyde,2-ethoxy benzaldehyde,benzaldehyde, o-ethoxy,2-ethoxy-benzaldehyde,benzaldehyde, ethoxy,ethoxy benzaldehyde,pubchem9726,ortho-ethoxybenzaldehyde,acmc-209ms1 |
| IUPAC Name | 2-ethoxybenzaldehyde |
| InChI Key | DUVJMSPTZMCSTQ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |