Organooxygen compounds
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2,2,4,4-Tetramethyl-1,3-cyclobutanediol (mixture of isomers) 98.0+%, TCI America™
CAS: 3010-96-6 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00001329 InChI Key: FQXGHZNSUOHCLO-UHFFFAOYSA-N Synonym: 2,2,4,4-tetramethyl-1,3-cyclobutanediol,1,3-cyclobutanediol, 2,2,4,4-tetramethyl,tetramethyl-1,3-cyclobutanediol,1,1,3,3-tetramethylcyclobutanediol,unii-v7wk40i307,cis-2,2,4,4-tetramethyl-1,3-cyclobutanediol,2,2,4,4-tetramethylcyclobutane-1,3-diol, mixed isomers,2,2,4,4-tetramethyl-1,3-cyclobutanediol, mixture of isomers,2,2,4,4-tetramethylcyclobutane-1,3-diol, cis,acmc-209hd8 PubChem CID: 76382 IUPAC Name: 2,2,4,4-tetramethylcyclobutane-1,3-diol SMILES: CC1(C(C(C1O)(C)C)O)C
| PubChem CID | 76382 |
|---|---|
| CAS | 3010-96-6 |
| Molecular Weight (g/mol) | 144.214 |
| MDL Number | MFCD00001329 |
| SMILES | CC1(C(C(C1O)(C)C)O)C |
| Synonym | 2,2,4,4-tetramethyl-1,3-cyclobutanediol,1,3-cyclobutanediol, 2,2,4,4-tetramethyl,tetramethyl-1,3-cyclobutanediol,1,1,3,3-tetramethylcyclobutanediol,unii-v7wk40i307,cis-2,2,4,4-tetramethyl-1,3-cyclobutanediol,2,2,4,4-tetramethylcyclobutane-1,3-diol, mixed isomers,2,2,4,4-tetramethyl-1,3-cyclobutanediol, mixture of isomers,2,2,4,4-tetramethylcyclobutane-1,3-diol, cis,acmc-209hd8 |
| IUPAC Name | 2,2,4,4-tetramethylcyclobutane-1,3-diol |
| InChI Key | FQXGHZNSUOHCLO-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
1,3-Bis(2-hydroxyethylsulfonyl)-2-propanol 93.0+%, TCI America™
CAS: 67006-34-2 Molecular Formula: C7H16O7S2 Molecular Weight (g/mol): 276.318 InChI Key: CVFXDAXIZHJZAH-UHFFFAOYSA-N PubChem CID: 11437335 IUPAC Name: 1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol SMILES: C(CS(=O)(=O)CC(CS(=O)(=O)CCO)O)O
| PubChem CID | 11437335 |
|---|---|
| CAS | 67006-34-2 |
| Molecular Weight (g/mol) | 276.318 |
| SMILES | C(CS(=O)(=O)CC(CS(=O)(=O)CCO)O)O |
| IUPAC Name | 1,3-bis(2-hydroxyethylsulfonyl)propan-2-ol |
| InChI Key | CVFXDAXIZHJZAH-UHFFFAOYSA-N |
| Molecular Formula | C7H16O7S2 |
Octaethylene Glycol 96.0+%, TCI America™
CAS: 5117-19-1 Molecular Formula: C16H34O9 Molecular Weight (g/mol): 370.439 MDL Number: MFCD00698694 InChI Key: GLZWNFNQMJAZGY-UHFFFAOYSA-N PubChem CID: 78798 ChEBI: CHEBI:44794 IUPAC Name: 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol SMILES: C(COCCOCCOCCOCCOCCOCCOCCO)O
| PubChem CID | 78798 |
|---|---|
| CAS | 5117-19-1 |
| Molecular Weight (g/mol) | 370.439 |
| ChEBI | CHEBI:44794 |
| MDL Number | MFCD00698694 |
| SMILES | C(COCCOCCOCCOCCOCCOCCOCCO)O |
| IUPAC Name | 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
| InChI Key | GLZWNFNQMJAZGY-UHFFFAOYSA-N |
| Molecular Formula | C16H34O9 |
Monocaprin 98.0+%, TCI America™
CAS: 26402-22-2 Molecular Formula: C13H26O4 Molecular Weight (g/mol): 246.35 MDL Number: MFCD00056656 InChI Key: LKUNXBRZDFMZOK-UHFFFAOYNA-N Synonym: Glycerol alpha-Monodecanoate, 1-Monodecanoyl Glycerol PubChem CID: 92926 ChEBI: CHEBI:75551 IUPAC Name: 2,3-dihydroxypropyl decanoate SMILES: CCCCCCCCCC(=O)OCC(O)CO
| PubChem CID | 92926 |
|---|---|
| CAS | 26402-22-2 |
| Molecular Weight (g/mol) | 246.35 |
| ChEBI | CHEBI:75551 |
| MDL Number | MFCD00056656 |
| SMILES | CCCCCCCCCC(=O)OCC(O)CO |
| Synonym | Glycerol alpha-Monodecanoate, 1-Monodecanoyl Glycerol |
| IUPAC Name | 2,3-dihydroxypropyl decanoate |
| InChI Key | LKUNXBRZDFMZOK-UHFFFAOYNA-N |
| Molecular Formula | C13H26O4 |
4-Hydroxymethyl-5-methylimidazole Hydrochloride 98.0+%, TCI America™
CAS: 38585-62-5 Molecular Formula: C5H9ClN2O Molecular Weight (g/mol): 148.59 MDL Number: MFCD00040986 InChI Key: UBHDUFNPQJWPRQ-UHFFFAOYSA-N Synonym: 4-methyl-5-imidazolemethanol hydrochloride,4-methyl-1h-imidazol-5-yl methanol hydrochloride,5-methyl-1h-imidazol-4-yl methanol hydrochloride,4-hydroxymethyl-5-methylimidazole hydrochloride,4-methylimidazol-5-ylmethanolhydrochloride,4-methyl-5-hydroxymethyl imidazole hydrochloride,1h-imidazole-4-methanol, 5-methyl-, monohydrochloride,5-hydroxymethyl-4-methylimidazole hcl,4-methyl-5-hydroxymethylimidazole hydrochloride,4-methyl-5-hydroxymethyl-imidazole hydrochloride PubChem CID: 3084707 IUPAC Name: hydrogen (5-methyl-1H-imidazol-4-yl)methanol chloride SMILES: [H+].[Cl-].CC1=C(CO)N=CN1
| PubChem CID | 3084707 |
|---|---|
| CAS | 38585-62-5 |
| Molecular Weight (g/mol) | 148.59 |
| MDL Number | MFCD00040986 |
| SMILES | [H+].[Cl-].CC1=C(CO)N=CN1 |
| Synonym | 4-methyl-5-imidazolemethanol hydrochloride,4-methyl-1h-imidazol-5-yl methanol hydrochloride,5-methyl-1h-imidazol-4-yl methanol hydrochloride,4-hydroxymethyl-5-methylimidazole hydrochloride,4-methylimidazol-5-ylmethanolhydrochloride,4-methyl-5-hydroxymethyl imidazole hydrochloride,1h-imidazole-4-methanol, 5-methyl-, monohydrochloride,5-hydroxymethyl-4-methylimidazole hcl,4-methyl-5-hydroxymethylimidazole hydrochloride,4-methyl-5-hydroxymethyl-imidazole hydrochloride |
| IUPAC Name | hydrogen (5-methyl-1H-imidazol-4-yl)methanol chloride |
| InChI Key | UBHDUFNPQJWPRQ-UHFFFAOYSA-N |
| Molecular Formula | C5H9ClN2O |
alpha-Cyclohexyl-DL-mandelic Acid 98.0+%, TCI America™
CAS: 4335-77-7 Molecular Formula: C14H18O3 Molecular Weight (g/mol): 234.295 MDL Number: MFCD00194543 InChI Key: YTRNSQPXEDGWMR-UHFFFAOYSA-N Synonym: alpha-cyclohexylmandelic acid,2-cyclohexylmandelic acid,cyclohexylphenylglycolic acid,lespedamine,hexahydrobenzilic acid,cyclohexylmandelic acid,cyclohexyl-hydroxy-phenyl-acetic acid,cyclohexyl hydroxy phenylacetic acid,phenyl-cyclohexylglycolic acid,rcc 32 PubChem CID: 97700 IUPAC Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid SMILES: C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)O)O
| PubChem CID | 97700 |
|---|---|
| CAS | 4335-77-7 |
| Molecular Weight (g/mol) | 234.295 |
| MDL Number | MFCD00194543 |
| SMILES | C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)O)O |
| Synonym | alpha-cyclohexylmandelic acid,2-cyclohexylmandelic acid,cyclohexylphenylglycolic acid,lespedamine,hexahydrobenzilic acid,cyclohexylmandelic acid,cyclohexyl-hydroxy-phenyl-acetic acid,cyclohexyl hydroxy phenylacetic acid,phenyl-cyclohexylglycolic acid,rcc 32 |
| IUPAC Name | 2-cyclohexyl-2-hydroxy-2-phenylacetic acid |
| InChI Key | YTRNSQPXEDGWMR-UHFFFAOYSA-N |
| Molecular Formula | C14H18O3 |
Guaiacylglycerol-beta-guaiacyl Ether 97.0+%, TCI America™
CAS: 7382-59-4 Molecular Formula: C17H20O6 Molecular Weight (g/mol): 320.34 MDL Number: MFCD00060144 InChI Key: COXIJIHARCXZBW-UHFFFAOYNA-N Synonym: 1-(4-Hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol PubChem CID: 6424189 ChEBI: CHEBI:53650 IUPAC Name: 4-[1-hydroxy-2-(hydroxymethoxy)-2-(2-methoxyphenyl)ethyl]-2-methoxyphenol SMILES: COC1=CC(=CC=C1O)C(O)C(OCO)C1=CC=CC=C1OC
| PubChem CID | 6424189 |
|---|---|
| CAS | 7382-59-4 |
| Molecular Weight (g/mol) | 320.34 |
| ChEBI | CHEBI:53650 |
| MDL Number | MFCD00060144 |
| SMILES | COC1=CC(=CC=C1O)C(O)C(OCO)C1=CC=CC=C1OC |
| Synonym | 1-(4-Hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol |
| IUPAC Name | 4-[1-hydroxy-2-(hydroxymethoxy)-2-(2-methoxyphenyl)ethyl]-2-methoxyphenol |
| InChI Key | COXIJIHARCXZBW-UHFFFAOYNA-N |
| Molecular Formula | C17H20O6 |
4-Sulfocalix[6]arene Hydrate 95.0+%, TCI America™
CAS: 102088-39-1 Molecular Formula: C42H36O24S6 Molecular Weight (g/mol): 1117.09 MDL Number: MFCD00216907,MFCD00143376 InChI Key: BXOUPTJVBGEDIR-UHFFFAOYSA-N Synonym: 4-sulfocalix 6 arene,4-sulfocalix 6 arene hydrate,hexahydroxycalix 6 arenehexasulfonic acid,4-sulfonic calix 6 arene,acmc-20m53e,calix 6 arene-p-sulfonate,hexasulfo hexahydroxy calix 6 arene PubChem CID: 2724887 IUPAC Name: 37,38,39,40,41,42-hexahydroxyheptacyclo[31.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹.1²¹,²⁵.1²⁷,³¹]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-5,11,17,23,29,35-hexasulfonic acid SMILES: OC1=C2CC3=CC(=CC(CC4=CC(=CC(CC5=C(O)C(CC6=C(O)C(CC7=C(O)C(CC1=CC(=C2)S(O)(=O)=O)=CC(=C7)S(O)(=O)=O)=CC(=C6)S(O)(=O)=O)=CC(=C5)S(O)(=O)=O)=C4O)S(O)(=O)=O)=C3O)S(O)(=O)=O
| PubChem CID | 2724887 |
|---|---|
| CAS | 102088-39-1 |
| Molecular Weight (g/mol) | 1117.09 |
| MDL Number | MFCD00216907,MFCD00143376 |
| SMILES | OC1=C2CC3=CC(=CC(CC4=CC(=CC(CC5=C(O)C(CC6=C(O)C(CC7=C(O)C(CC1=CC(=C2)S(O)(=O)=O)=CC(=C7)S(O)(=O)=O)=CC(=C6)S(O)(=O)=O)=CC(=C5)S(O)(=O)=O)=C4O)S(O)(=O)=O)=C3O)S(O)(=O)=O |
| Synonym | 4-sulfocalix 6 arene,4-sulfocalix 6 arene hydrate,hexahydroxycalix 6 arenehexasulfonic acid,4-sulfonic calix 6 arene,acmc-20m53e,calix 6 arene-p-sulfonate,hexasulfo hexahydroxy calix 6 arene |
| IUPAC Name | 37,38,39,40,41,42-hexahydroxyheptacyclo[31.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹.1²¹,²⁵.1²⁷,³¹]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-5,11,17,23,29,35-hexasulfonic acid |
| InChI Key | BXOUPTJVBGEDIR-UHFFFAOYSA-N |
| Molecular Formula | C42H36O24S6 |
2-Methoxy-1-naphthalenemethanol 98.0+%, TCI America™
CAS: 40696-22-8 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.226 MDL Number: MFCD00274224 InChI Key: VBHARLNUEDIKQD-UHFFFAOYSA-N PubChem CID: 2733640 IUPAC Name: (2-methoxynaphthalen-1-yl)methanol SMILES: COC1=C(C2=CC=CC=C2C=C1)CO
| PubChem CID | 2733640 |
|---|---|
| CAS | 40696-22-8 |
| Molecular Weight (g/mol) | 188.226 |
| MDL Number | MFCD00274224 |
| SMILES | COC1=C(C2=CC=CC=C2C=C1)CO |
| IUPAC Name | (2-methoxynaphthalen-1-yl)methanol |
| InChI Key | VBHARLNUEDIKQD-UHFFFAOYSA-N |
| Molecular Formula | C12H12O2 |
Methyl DL-Mandelate 98.0+%, TCI America™
CAS: 4358-87-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00004493 InChI Key: ITATYELQCJRCCK-UHFFFAOYNA-N Synonym: methyl mandelate,methyl dl-mandelate,mandelic acid, methyl ester,methyl phenylglycolate,methyl hydroxy phenyl acetate,+/--methyl mandelate,mandelic acid methyl ester,dl-mandelic acid methyl ester,dl-mandelic acid, methyl ester,methyl 2-hydroxy-2-phenyl-acetate PubChem CID: 78066 IUPAC Name: methyl 2-hydroxy-2-phenylacetate SMILES: COC(=O)C(O)C1=CC=CC=C1
| PubChem CID | 78066 |
|---|---|
| CAS | 4358-87-6 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00004493 |
| SMILES | COC(=O)C(O)C1=CC=CC=C1 |
| Synonym | methyl mandelate,methyl dl-mandelate,mandelic acid, methyl ester,methyl phenylglycolate,methyl hydroxy phenyl acetate,+/--methyl mandelate,mandelic acid methyl ester,dl-mandelic acid methyl ester,dl-mandelic acid, methyl ester,methyl 2-hydroxy-2-phenyl-acetate |
| IUPAC Name | methyl 2-hydroxy-2-phenylacetate |
| InChI Key | ITATYELQCJRCCK-UHFFFAOYNA-N |
| Molecular Formula | C9H10O3 |
Chlorogenic Acid Hydrate 98.0+%, TCI America™
CAS: 327-97-9 Molecular Formula: C16H18O9 Molecular Weight (g/mol): 354.31 MDL Number: MFCD00003862 InChI Key: CWVRJTMFETXNAD-JUHZACGLSA-N Synonym: chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri PubChem CID: 1794427 ChEBI: CHEBI:16112 IUPAC Name: (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O
| PubChem CID | 1794427 |
|---|---|
| CAS | 327-97-9 |
| Molecular Weight (g/mol) | 354.31 |
| ChEBI | CHEBI:16112 |
| MDL Number | MFCD00003862 |
| SMILES | O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O |
| Synonym | chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri |
| IUPAC Name | (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| InChI Key | CWVRJTMFETXNAD-JUHZACGLSA-N |
| Molecular Formula | C16H18O9 |
3,4-O-Isopropylidene-D-mannitol 96.0+%, TCI America™
CAS: 3969-84-4 Molecular Formula: C9H18O6 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00075122 InChI Key: YCOMFYACDCWMMD-UHFFFAOYNA-N Synonym: 3,4-o-isopropylidene-d-mannitol,1r,1'r-1,1'-4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-diyl bis ethane-1,2-diol,1r-1-4r,5r-5-1r-1,2-dihydroxyethyl-2,2-dimethyl-1,3-dioxolan-4-yl ethane-1,2-diol,oi4-o-isopropylidene-d-mannitol,d-mannitol-3,4-acetonide,3-o,4-o-isopropylidene-d-mannitol,3,4-isopropylidene-d-mannitol,3,4-o-1-methylethylidene-d-mannitol,1r,1'r-1,1'-4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-diyl diethane-1,2-diol PubChem CID: 7096260 IUPAC Name: 1-[5-(1,2-dihydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol SMILES: CC1(C)OC(C(O)CO)C(O1)C(O)CO
| PubChem CID | 7096260 |
|---|---|
| CAS | 3969-84-4 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD00075122 |
| SMILES | CC1(C)OC(C(O)CO)C(O1)C(O)CO |
| Synonym | 3,4-o-isopropylidene-d-mannitol,1r,1'r-1,1'-4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-diyl bis ethane-1,2-diol,1r-1-4r,5r-5-1r-1,2-dihydroxyethyl-2,2-dimethyl-1,3-dioxolan-4-yl ethane-1,2-diol,oi4-o-isopropylidene-d-mannitol,d-mannitol-3,4-acetonide,3-o,4-o-isopropylidene-d-mannitol,3,4-isopropylidene-d-mannitol,3,4-o-1-methylethylidene-d-mannitol,1r,1'r-1,1'-4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-diyl diethane-1,2-diol |
| IUPAC Name | 1-[5-(1,2-dihydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol |
| InChI Key | YCOMFYACDCWMMD-UHFFFAOYNA-N |
| Molecular Formula | C9H18O6 |
7-Bromo-1-heptanol 88.0+%, TCI America™
CAS: 10160-24-4 Molecular Formula: C7H15BrO Molecular Weight (g/mol): 195.1 MDL Number: MFCD00041708 InChI Key: MMXRRNUXCHUHOE-UHFFFAOYSA-N Synonym: 7-bromo-1-heptanol,1-heptanol, 7-bromo,7-bromoheptanol,7-bromoheptane-1-ol PubChem CID: 66284 IUPAC Name: 7-bromoheptan-1-ol SMILES: C(CCCO)CCCBr
| PubChem CID | 66284 |
|---|---|
| CAS | 10160-24-4 |
| Molecular Weight (g/mol) | 195.1 |
| MDL Number | MFCD00041708 |
| SMILES | C(CCCO)CCCBr |
| Synonym | 7-bromo-1-heptanol,1-heptanol, 7-bromo,7-bromoheptanol,7-bromoheptane-1-ol |
| IUPAC Name | 7-bromoheptan-1-ol |
| InChI Key | MMXRRNUXCHUHOE-UHFFFAOYSA-N |
| Molecular Formula | C7H15BrO |
4-Hydroxymethyl-5-methylimidazole 96.0+%, TCI America™
CAS: 29636-87-1 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.13 MDL Number: MFCD00792476 InChI Key: AXJZCJSXNZZMDU-UHFFFAOYSA-N PubChem CID: 122433 IUPAC Name: (5-methyl-1H-imidazol-4-yl)methanol SMILES: CC1=C(CO)N=CN1
| PubChem CID | 122433 |
|---|---|
| CAS | 29636-87-1 |
| Molecular Weight (g/mol) | 112.13 |
| MDL Number | MFCD00792476 |
| SMILES | CC1=C(CO)N=CN1 |
| IUPAC Name | (5-methyl-1H-imidazol-4-yl)methanol |
| InChI Key | AXJZCJSXNZZMDU-UHFFFAOYSA-N |
| Molecular Formula | C5H8N2O |
Ethylene Glycol Monovinyl Ether (stabilized with KOH) 98.0+%, TCI America™
CAS: 764-48-7 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00192151 InChI Key: VUIWJRYTWUGOOF-UHFFFAOYSA-N Synonym: Vinyl Cellosolve, Vinyl Glycol, 2-Vinyloxyethanol PubChem CID: 12995 IUPAC Name: 2-ethenoxyethanol SMILES: C=COCCO
| PubChem CID | 12995 |
|---|---|
| CAS | 764-48-7 |
| Molecular Weight (g/mol) | 88.106 |
| MDL Number | MFCD00192151 |
| SMILES | C=COCCO |
| Synonym | Vinyl Cellosolve, Vinyl Glycol, 2-Vinyloxyethanol |
| IUPAC Name | 2-ethenoxyethanol |
| InChI Key | VUIWJRYTWUGOOF-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |