Organooxygen compounds
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Triethylene Glycol Monobutyl Ether 98.0+%, TCI America™
CAS: 143-22-6 Molecular Formula: C10H22O4 Molecular Weight (g/mol): 206.28 MDL Number: MFCD00020606 InChI Key: COBPKKZHLDDMTB-UHFFFAOYSA-N Synonym: triethylene glycol monobutyl ether,butoxytriglycol,dowanol tbat,butoxytriethylene glycol,poly-solv tb,triethylene glycol butyl ether,triglycol monobutyl ether,ethanol, 2-2-2-butoxyethoxy ethoxy,triethylene glycol mono-n-butyl ether,triethylene glycol n-butyl ether PubChem CID: 8923 IUPAC Name: 2-[2-(2-butoxyethoxy)ethoxy]ethan-1-ol SMILES: CCCCOCCOCCOCCO
| PubChem CID | 8923 |
|---|---|
| CAS | 143-22-6 |
| Molecular Weight (g/mol) | 206.28 |
| MDL Number | MFCD00020606 |
| SMILES | CCCCOCCOCCOCCO |
| Synonym | triethylene glycol monobutyl ether,butoxytriglycol,dowanol tbat,butoxytriethylene glycol,poly-solv tb,triethylene glycol butyl ether,triglycol monobutyl ether,ethanol, 2-2-2-butoxyethoxy ethoxy,triethylene glycol mono-n-butyl ether,triethylene glycol n-butyl ether |
| IUPAC Name | 2-[2-(2-butoxyethoxy)ethoxy]ethan-1-ol |
| InChI Key | COBPKKZHLDDMTB-UHFFFAOYSA-N |
| Molecular Formula | C10H22O4 |
D-Panthenol 98.0+%, TCI America™
CAS: 81-13-0 Molecular Formula: C9H19NO4 Molecular Weight (g/mol): 205.25 MDL Number: MFCD00065006 InChI Key: SNPLKNRPJHDVJA-ZETCQYMHSA-N Synonym: dexpanthenol,d-panthenol,pantothenol,bepanthen,d-pantothenyl alcohol,ilopan,+-panthenol,bepanthene,panthoderm,thenalton PubChem CID: 131204 ChEBI: CHEBI:27373 IUPAC Name: (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCCO
| PubChem CID | 131204 |
|---|---|
| CAS | 81-13-0 |
| Molecular Weight (g/mol) | 205.25 |
| ChEBI | CHEBI:27373 |
| MDL Number | MFCD00065006 |
| SMILES | CC(C)(CO)[C@@H](O)C(=O)NCCCO |
| Synonym | dexpanthenol,d-panthenol,pantothenol,bepanthen,d-pantothenyl alcohol,ilopan,+-panthenol,bepanthene,panthoderm,thenalton |
| IUPAC Name | (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide |
| InChI Key | SNPLKNRPJHDVJA-ZETCQYMHSA-N |
| Molecular Formula | C9H19NO4 |
Benzyl D-(-)-Mandelate 98.0+%, TCI America™
CAS: 97415-09-3 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.274 MDL Number: MFCD00674031 InChI Key: JFKWZVQEMSKSBU-CQSZACIVSA-N Synonym: D-(-)-Mandelic Acid Benzyl Ester PubChem CID: 853755 IUPAC Name: benzyl (2R)-2-hydroxy-2-phenylacetate SMILES: C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O
| PubChem CID | 853755 |
|---|---|
| CAS | 97415-09-3 |
| Molecular Weight (g/mol) | 242.274 |
| MDL Number | MFCD00674031 |
| SMILES | C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O |
| Synonym | D-(-)-Mandelic Acid Benzyl Ester |
| IUPAC Name | benzyl (2R)-2-hydroxy-2-phenylacetate |
| InChI Key | JFKWZVQEMSKSBU-CQSZACIVSA-N |
| Molecular Formula | C15H14O3 |
Benzyl DL-Mandelate 98.0+%, TCI America™
CAS: 890-98-2 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.274 MDL Number: MFCD00021856 InChI Key: JFKWZVQEMSKSBU-UHFFFAOYSA-N Synonym: DL-Mandelic Acid Benzyl Ester PubChem CID: 13461 IUPAC Name: benzyl 2-hydroxy-2-phenylacetate SMILES: C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O
| PubChem CID | 13461 |
|---|---|
| CAS | 890-98-2 |
| Molecular Weight (g/mol) | 242.274 |
| MDL Number | MFCD00021856 |
| SMILES | C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O |
| Synonym | DL-Mandelic Acid Benzyl Ester |
| IUPAC Name | benzyl 2-hydroxy-2-phenylacetate |
| InChI Key | JFKWZVQEMSKSBU-UHFFFAOYSA-N |
| Molecular Formula | C15H14O3 |
4-Sulfocalix[4]arene Hydrate 94.0+%, TCI America™
CAS: 112269-92-8 Molecular Formula: C28H24O16S4 Molecular Weight (g/mol): 744.724 MDL Number: MFCD03095486 InChI Key: JFYBCAFLVNKHHG-UHFFFAOYSA-N Synonym: Tetrahydroxycalix[4]arenetetrasulfonic Acid, Tetrasulfo(tetrahydroxy)calix[4]arene PubChem CID: 644084 SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=CC(=C5)S(=O)(=O)O)O)O)S(=O)(=O)O)S(=O)(=O)O
| PubChem CID | 644084 |
|---|---|
| CAS | 112269-92-8 |
| Molecular Weight (g/mol) | 744.724 |
| MDL Number | MFCD03095486 |
| SMILES | C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=CC(=C5)S(=O)(=O)O)O)O)S(=O)(=O)O)S(=O)(=O)O |
| Synonym | Tetrahydroxycalix[4]arenetetrasulfonic Acid, Tetrasulfo(tetrahydroxy)calix[4]arene |
| InChI Key | JFYBCAFLVNKHHG-UHFFFAOYSA-N |
| Molecular Formula | C28H24O16S4 |
2-(Hydroxymethyl)benzimidazole 98.0+%, TCI America™
CAS: 4856-97-7 Molecular Formula: C8H8N2O Molecular Weight (g/mol): 148.165 MDL Number: MFCD00014560 InChI Key: IAJLTMBBAVVMQO-UHFFFAOYSA-N Synonym: 1h-benzimidazole-2-methanol,1h-benzoimidazol-2-yl methanol,2-benzimidazolemethanol,2-hydroxymethyl benzimidazole,1h-benzo d imidazol-2-yl methanol,2-hydroxymethylbenzimidazole,2-hydroxymethyl-1h-benzimidazole,1h-benzoimidazol-2-yl-methanol,1h-1,3-benzodiazol-2-ylmethanol,1h-benzimidazol-2-yl methanol PubChem CID: 78569 IUPAC Name: 1H-benzimidazol-2-ylmethanol SMILES: C1=CC=C2C(=C1)NC(=N2)CO
| PubChem CID | 78569 |
|---|---|
| CAS | 4856-97-7 |
| Molecular Weight (g/mol) | 148.165 |
| MDL Number | MFCD00014560 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)CO |
| Synonym | 1h-benzimidazole-2-methanol,1h-benzoimidazol-2-yl methanol,2-benzimidazolemethanol,2-hydroxymethyl benzimidazole,1h-benzo d imidazol-2-yl methanol,2-hydroxymethylbenzimidazole,2-hydroxymethyl-1h-benzimidazole,1h-benzoimidazol-2-yl-methanol,1h-1,3-benzodiazol-2-ylmethanol,1h-benzimidazol-2-yl methanol |
| IUPAC Name | 1H-benzimidazol-2-ylmethanol |
| InChI Key | IAJLTMBBAVVMQO-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O |
(S)-(+)-1,2-Propanediol 98.0+%, TCI America™
CAS: 4254-15-3 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.10 MDL Number: MFCD00004539 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYNA-N Synonym: s-+-1,2-propanediol,s-propane-1,2-diol,s-1,2-propanediol,2s-propane-1,2-diol,s-propylene glycol,s-+-propylene glycol,s-+-1,2-dihydroxypropane,propylene glycol #,pgo PubChem CID: 439846 ChEBI: CHEBI:29002 IUPAC Name: propane-1,2-diol SMILES: CC(O)CO
| PubChem CID | 439846 |
|---|---|
| CAS | 4254-15-3 |
| Molecular Weight (g/mol) | 76.10 |
| ChEBI | CHEBI:29002 |
| MDL Number | MFCD00004539 |
| SMILES | CC(O)CO |
| Synonym | s-+-1,2-propanediol,s-propane-1,2-diol,s-1,2-propanediol,2s-propane-1,2-diol,s-propylene glycol,s-+-propylene glycol,s-+-1,2-dihydroxypropane,propylene glycol #,pgo |
| IUPAC Name | propane-1,2-diol |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYNA-N |
| Molecular Formula | C3H8O2 |
1,3-Cyclopentanediol (cis- and trans- mixture) 95.0+%, TCI America™
CAS: 59719-74-3 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00001367 InChI Key: NUUPJBRGQCEZSI-UHFFFAOYSA-N Synonym: 1,3-cyclopentanediol,1,3-cyclopentanediol, cis,1,3-cyclopentanediol, mixture of cis and trans,1,3-cyclopentandiol,1,4-cyclopentanediol,cyclopentan-1,3-diol,3-hydroxy cylcopentanol,cyclopentane 1,3-diol,acmc-20ap4n,1,3-dihydroxycyclopentane PubChem CID: 100165 IUPAC Name: cyclopentane-1,3-diol SMILES: C1CC(CC1O)O
| PubChem CID | 100165 |
|---|---|
| CAS | 59719-74-3 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00001367 |
| SMILES | C1CC(CC1O)O |
| Synonym | 1,3-cyclopentanediol,1,3-cyclopentanediol, cis,1,3-cyclopentanediol, mixture of cis and trans,1,3-cyclopentandiol,1,4-cyclopentanediol,cyclopentan-1,3-diol,3-hydroxy cylcopentanol,cyclopentane 1,3-diol,acmc-20ap4n,1,3-dihydroxycyclopentane |
| IUPAC Name | cyclopentane-1,3-diol |
| InChI Key | NUUPJBRGQCEZSI-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
5-Hydroxy-2-pentanone (mixture of monomer and dimer) 96.0+%, TCI America™
CAS: 1071-73-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00002961 InChI Key: JSHPTIGHEWEXRW-UHFFFAOYSA-N Synonym: 3-Acetyl-1-propanol PubChem CID: 14066 IUPAC Name: 5-hydroxypentan-2-one SMILES: CC(=O)CCCO
| PubChem CID | 14066 |
|---|---|
| CAS | 1071-73-4 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00002961 |
| SMILES | CC(=O)CCCO |
| Synonym | 3-Acetyl-1-propanol |
| IUPAC Name | 5-hydroxypentan-2-one |
| InChI Key | JSHPTIGHEWEXRW-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
2,3,4-Trimethyl-3-pentanol 98.0+%, TCI America™
CAS: 3054-92-0 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.231 MDL Number: MFCD00048319 InChI Key: PLSMHHUFDLYURK-UHFFFAOYSA-N Synonym: 2,3,4-trimethyl-3-pentanol,1,1-diisopropylethanol,3-pentanol, 2,3,4-trimethyl,diisopropylmethylcarbinol,unii-e7oyt9fj8f,e7oyt9fj8f,fema no. 3903,2,3,4-trimethyl-3-pentanol fhfi,acmc-1cqn4,2,3,4-trimethyl-pentan-3-ol PubChem CID: 520484 IUPAC Name: 2,3,4-trimethylpentan-3-ol SMILES: CC(C)C(C)(C(C)C)O
| PubChem CID | 520484 |
|---|---|
| CAS | 3054-92-0 |
| Molecular Weight (g/mol) | 130.231 |
| MDL Number | MFCD00048319 |
| SMILES | CC(C)C(C)(C(C)C)O |
| Synonym | 2,3,4-trimethyl-3-pentanol,1,1-diisopropylethanol,3-pentanol, 2,3,4-trimethyl,diisopropylmethylcarbinol,unii-e7oyt9fj8f,e7oyt9fj8f,fema no. 3903,2,3,4-trimethyl-3-pentanol fhfi,acmc-1cqn4,2,3,4-trimethyl-pentan-3-ol |
| IUPAC Name | 2,3,4-trimethylpentan-3-ol |
| InChI Key | PLSMHHUFDLYURK-UHFFFAOYSA-N |
| Molecular Formula | C8H18O |
Benzyl L-(+)-Mandelate 98.0+%, TCI America™
CAS: 62173-99-3 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.274 MDL Number: MFCD00274325 InChI Key: JFKWZVQEMSKSBU-AWEZNQCLSA-N Synonym: L-(+)-Mandelic Acid Benzyl Ester PubChem CID: 667423 IUPAC Name: benzyl (2S)-2-hydroxy-2-phenylacetate SMILES: C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O
| PubChem CID | 667423 |
|---|---|
| CAS | 62173-99-3 |
| Molecular Weight (g/mol) | 242.274 |
| MDL Number | MFCD00274325 |
| SMILES | C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O |
| Synonym | L-(+)-Mandelic Acid Benzyl Ester |
| IUPAC Name | benzyl (2S)-2-hydroxy-2-phenylacetate |
| InChI Key | JFKWZVQEMSKSBU-AWEZNQCLSA-N |
| Molecular Formula | C15H14O3 |
5-Chloro-1-pentanol 90.0+%, TCI America™
CAS: 5259-98-3 Molecular Formula: C5H11ClO Molecular Weight (g/mol): 122.59 MDL Number: MFCD00039556 InChI Key: DCBJCKDOZLTTDW-UHFFFAOYSA-N Synonym: 5-chloro-1-pentanol,5-chloropentanol,pentamethylene chlorohydrin,1-pentanol, 5-chloro,1-chloro-5-hydroxypentane,unii-55vp4w35eg,1-chloro-5-pentanol,5-chloropentane-1-ol,acmc-1amb4,ksc272o9l PubChem CID: 78915 IUPAC Name: 5-chloropentan-1-ol SMILES: OCCCCCCl
| PubChem CID | 78915 |
|---|---|
| CAS | 5259-98-3 |
| Molecular Weight (g/mol) | 122.59 |
| MDL Number | MFCD00039556 |
| SMILES | OCCCCCCl |
| Synonym | 5-chloro-1-pentanol,5-chloropentanol,pentamethylene chlorohydrin,1-pentanol, 5-chloro,1-chloro-5-hydroxypentane,unii-55vp4w35eg,1-chloro-5-pentanol,5-chloropentane-1-ol,acmc-1amb4,ksc272o9l |
| IUPAC Name | 5-chloropentan-1-ol |
| InChI Key | DCBJCKDOZLTTDW-UHFFFAOYSA-N |
| Molecular Formula | C5H11ClO |
Bis(2,4-pentanedionato)magnesium(II) 98.0+%, TCI America™
CAS: 14024-56-7 Molecular Formula: C10H14MgO4 Molecular Weight (g/mol): 222.523 MDL Number: MFCD00013497 InChI Key: AKTIAGQCYPCKFX-SYWGCQIGSA-L Synonym: 4-4-oxopent-2-en-2-yl oxy magnesio oxy pent-3-en-2-one PubChem CID: 25113476 IUPAC Name: magnesium;(E)-4-oxopent-2-en-2-olate SMILES: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Mg+2]
| PubChem CID | 25113476 |
|---|---|
| CAS | 14024-56-7 |
| Molecular Weight (g/mol) | 222.523 |
| MDL Number | MFCD00013497 |
| SMILES | CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Mg+2] |
| Synonym | 4-4-oxopent-2-en-2-yl oxy magnesio oxy pent-3-en-2-one |
| IUPAC Name | magnesium;(E)-4-oxopent-2-en-2-olate |
| InChI Key | AKTIAGQCYPCKFX-SYWGCQIGSA-L |
| Molecular Formula | C10H14MgO4 |
Bis(hexafluoroacetylacetonato)cobalt(II) Hydrate 95.0+%, TCI America™
CAS: 19648-83-0 Molecular Formula: C10H6CoF12O5 Molecular Weight (g/mol): 493.07 MDL Number: MFCD00150649,MFCD00042510 InChI Key: POHWVOSIFCILEF-UHFFFAOYSA-N Synonym: bis hexafluoroacetylacetonato cobalt ii hydrate,cobalt 2+ bis 1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate,cobalt 2+ ; z-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate PubChem CID: 16212172 IUPAC Name: bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one) cobalt hydrate SMILES: O.[Co].OC(=CC(=O)C(F)(F)F)C(F)(F)F.OC(=CC(=O)C(F)(F)F)C(F)(F)F
| PubChem CID | 16212172 |
|---|---|
| CAS | 19648-83-0 |
| Molecular Weight (g/mol) | 493.07 |
| MDL Number | MFCD00150649,MFCD00042510 |
| SMILES | O.[Co].OC(=CC(=O)C(F)(F)F)C(F)(F)F.OC(=CC(=O)C(F)(F)F)C(F)(F)F |
| Synonym | bis hexafluoroacetylacetonato cobalt ii hydrate,cobalt 2+ bis 1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate,cobalt 2+ ; z-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate |
| IUPAC Name | bis(1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one) cobalt hydrate |
| InChI Key | POHWVOSIFCILEF-UHFFFAOYSA-N |
| Molecular Formula | C10H6CoF12O5 |
Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate 96.0+%, TCI America™
CAS: 571-55-1 Molecular Formula: C9H11F3O4 Molecular Weight (g/mol): 240.178 MDL Number: MFCD02677683 InChI Key: XNGGOXOLHQANRB-AATRIKPKSA-N Synonym: ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate,e-ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate,ethyl 2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl ethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2e-3-ethoxy-2-2,2,2-trifluoroacetyl prop-2-enoate,2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester PubChem CID: 6185754 IUPAC Name: ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate SMILES: CCOC=C(C(=O)C(F)(F)F)C(=O)OCC
| PubChem CID | 6185754 |
|---|---|
| CAS | 571-55-1 |
| Molecular Weight (g/mol) | 240.178 |
| MDL Number | MFCD02677683 |
| SMILES | CCOC=C(C(=O)C(F)(F)F)C(=O)OCC |
| Synonym | ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate,e-ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate,ethyl 2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl ethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2e-3-ethoxy-2-2,2,2-trifluoroacetyl prop-2-enoate,2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester |
| IUPAC Name | ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate |
| InChI Key | XNGGOXOLHQANRB-AATRIKPKSA-N |
| Molecular Formula | C9H11F3O4 |