Organooxygen compounds
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Tetrakis(2,4-pentanedionato)titanium(IV) (ca. 63% in Isopropyl Alcohol), TCI America™
CAS: 17501-79-0 Molecular Formula: C20H32O8Ti Molecular Weight (g/mol): 448.335 MDL Number: MFCD00045004 InChI Key: RYSXWUYLAWPLES-MTOQALJVSA-N Synonym: Acetylacetone Titanium(IV) Salt, Titanium(IV) Acetylacetonate PubChem CID: 44629996 IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;titanium SMILES: CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Ti]
| PubChem CID | 44629996 |
|---|---|
| CAS | 17501-79-0 |
| Molecular Weight (g/mol) | 448.335 |
| MDL Number | MFCD00045004 |
| SMILES | CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Ti] |
| Synonym | Acetylacetone Titanium(IV) Salt, Titanium(IV) Acetylacetonate |
| IUPAC Name | (Z)-4-hydroxypent-3-en-2-one;titanium |
| InChI Key | RYSXWUYLAWPLES-MTOQALJVSA-N |
| Molecular Formula | C20H32O8Ti |
Propionaldehyde 98.0+%, TCI America™
CAS: 123-38-6 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00007020 InChI Key: NBBJYMSMWIIQGU-UHFFFAOYSA-N Synonym: propionaldehyde,propanaldehyde,propaldehyde,propional,propionic aldehyde,n-propanal,methylacetaldehyde,propylaldehyde,propylic aldehyde,aldehyde propionique PubChem CID: 527 ChEBI: CHEBI:17153 IUPAC Name: propanal SMILES: CCC=O
| PubChem CID | 527 |
|---|---|
| CAS | 123-38-6 |
| Molecular Weight (g/mol) | 58.08 |
| ChEBI | CHEBI:17153 |
| MDL Number | MFCD00007020 |
| SMILES | CCC=O |
| Synonym | propionaldehyde,propanaldehyde,propaldehyde,propional,propionic aldehyde,n-propanal,methylacetaldehyde,propylaldehyde,propylic aldehyde,aldehyde propionique |
| IUPAC Name | propanal |
| InChI Key | NBBJYMSMWIIQGU-UHFFFAOYSA-N |
| Molecular Formula | C3H6O |
1,4-Cyclohexanedimethanol (cis- and trans- mixture) 99.0+%, TCI America™
CAS: 105-08-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00001512,MFCD00066360 InChI Key: YIMQCDZDWXUDCA-UHFFFAOYSA-N Synonym: 1,4-cyclohexanedimethanol,trans-1,4-cyclohexanedimethanol,chdm,1,4-bis hydroxymethyl cyclohexane,rikabinol dm,cyclohexane-1,4-dimethanol,1,4-chidm,1,4-dimethylolcyclohexane,4-hydroxymethyl cyclohexyl methanol,1,4-cyclohexanedimethanol, cis PubChem CID: 7735 IUPAC Name: [4-(hydroxymethyl)cyclohexyl]methanol SMILES: OCC1CCC(CO)CC1
| PubChem CID | 7735 |
|---|---|
| CAS | 105-08-8 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00001512,MFCD00066360 |
| SMILES | OCC1CCC(CO)CC1 |
| Synonym | 1,4-cyclohexanedimethanol,trans-1,4-cyclohexanedimethanol,chdm,1,4-bis hydroxymethyl cyclohexane,rikabinol dm,cyclohexane-1,4-dimethanol,1,4-chidm,1,4-dimethylolcyclohexane,4-hydroxymethyl cyclohexyl methanol,1,4-cyclohexanedimethanol, cis |
| IUPAC Name | [4-(hydroxymethyl)cyclohexyl]methanol |
| InChI Key | YIMQCDZDWXUDCA-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Ethyl 2-Formylpropionate 97.0+%, TCI America™
CAS: 27772-62-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00044012 InChI Key: VVCYNVCCODBCOE-UHFFFAOYSA-N Synonym: 2-Formylpropionic Acid Ethyl Ester PubChem CID: 10898741 IUPAC Name: ethyl 2-methyl-3-oxopropanoate SMILES: CCOC(=O)C(C)C=O
| PubChem CID | 10898741 |
|---|---|
| CAS | 27772-62-9 |
| Molecular Weight (g/mol) | 130.143 |
| MDL Number | MFCD00044012 |
| SMILES | CCOC(=O)C(C)C=O |
| Synonym | 2-Formylpropionic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-methyl-3-oxopropanoate |
| InChI Key | VVCYNVCCODBCOE-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
2-Methoxypyridine 98.0+%, TCI America™
CAS: 1628-89-3 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006262 InChI Key: IWTFOFMTUOBLHG-UHFFFAOYSA-N Synonym: pyridine, 2-methoxy,2-methoxy pyridine,pyridine, methoxy,2-methoxy-pyridine,unii-geb38j8108,methyl 2-pyridyl ether,methoxypyridine,6-methoxypyridine,methyl pyridinyl ether,pubchem13201 PubChem CID: 74201 IUPAC Name: 2-methoxypyridine SMILES: COC1=CC=CC=N1
| PubChem CID | 74201 |
|---|---|
| CAS | 1628-89-3 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD00006262 |
| SMILES | COC1=CC=CC=N1 |
| Synonym | pyridine, 2-methoxy,2-methoxy pyridine,pyridine, methoxy,2-methoxy-pyridine,unii-geb38j8108,methyl 2-pyridyl ether,methoxypyridine,6-methoxypyridine,methyl pyridinyl ether,pubchem13201 |
| IUPAC Name | 2-methoxypyridine |
| InChI Key | IWTFOFMTUOBLHG-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
alpha-Thioglycerol 98.0+%, TCI America™
CAS: 96-27-5 Molecular Formula: C3H8O2S Molecular Weight (g/mol): 108.16 MDL Number: MFCD00004879 InChI Key: PJUIMOJAAPLTRJ-UHFFFAOYNA-N Synonym: 3-mercapto-1,2-propanediol,monothioglycerol,1-thioglycerol,thioglycerol,thioglycerine,thioglycerin,thiovanol,3-mercaptopropane-1,2-diol,alpha-thioglycerol,glycerol-1-thiol PubChem CID: 7291 ChEBI: CHEBI:74537 IUPAC Name: 3-sulfanylpropane-1,2-diol SMILES: OCC(O)CS
| PubChem CID | 7291 |
|---|---|
| CAS | 96-27-5 |
| Molecular Weight (g/mol) | 108.16 |
| ChEBI | CHEBI:74537 |
| MDL Number | MFCD00004879 |
| SMILES | OCC(O)CS |
| Synonym | 3-mercapto-1,2-propanediol,monothioglycerol,1-thioglycerol,thioglycerol,thioglycerine,thioglycerin,thiovanol,3-mercaptopropane-1,2-diol,alpha-thioglycerol,glycerol-1-thiol |
| IUPAC Name | 3-sulfanylpropane-1,2-diol |
| InChI Key | PJUIMOJAAPLTRJ-UHFFFAOYNA-N |
| Molecular Formula | C3H8O2S |
Ethyl 3-Ethoxypropionate 99.0+%, TCI America™
CAS: 763-69-9 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.186 MDL Number: MFCD00051356 InChI Key: BHXIWUJLHYHGSJ-UHFFFAOYSA-N Synonym: ethyl 3-ethoxypropionate,3-ethoxypropionic acid ethyl ester,propanoic acid, 3-ethoxy-, ethyl ester,eep solvent,ethoxypropionic acid, ethyl ester,ethyl beta-ethoxypropionate,unii-ec38rsj79j,propionic acid, 3-ethoxy-, ethyl ester,ethyl-3-ethoxypropionate,ethylester kyseliny 3-ethoxypropionove PubChem CID: 12989 IUPAC Name: ethyl 3-ethoxypropanoate SMILES: CCOCCC(=O)OCC
| PubChem CID | 12989 |
|---|---|
| CAS | 763-69-9 |
| Molecular Weight (g/mol) | 146.186 |
| MDL Number | MFCD00051356 |
| SMILES | CCOCCC(=O)OCC |
| Synonym | ethyl 3-ethoxypropionate,3-ethoxypropionic acid ethyl ester,propanoic acid, 3-ethoxy-, ethyl ester,eep solvent,ethoxypropionic acid, ethyl ester,ethyl beta-ethoxypropionate,unii-ec38rsj79j,propionic acid, 3-ethoxy-, ethyl ester,ethyl-3-ethoxypropionate,ethylester kyseliny 3-ethoxypropionove |
| IUPAC Name | ethyl 3-ethoxypropanoate |
| InChI Key | BHXIWUJLHYHGSJ-UHFFFAOYSA-N |
| Molecular Formula | C7H14O3 |
meso-Hydrobenzoin 98.0+%, TCI America™
CAS: 579-43-1 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.26 MDL Number: MFCD00064253 InChI Key: IHPDTPWNFBQHEB-UHFFFAOYNA-N Synonym: meso-hydrobenzoin,meso-1,2-diphenyl-1,2-ethanediol,unii-co9a49a84i,meso-stilbene glycol,1r,2s-1,2-diphenylethane-1,2-diol,meso-1,2-diphenylethylene glycol,hydrobenzoin, meso,unii-q61g3433lb component PubChem CID: 853018 ChEBI: CHEBI:50015 IUPAC Name: 1,2-diphenylethane-1,2-diol SMILES: OC(C(O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 853018 |
|---|---|
| CAS | 579-43-1 |
| Molecular Weight (g/mol) | 214.26 |
| ChEBI | CHEBI:50015 |
| MDL Number | MFCD00064253 |
| SMILES | OC(C(O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | meso-hydrobenzoin,meso-1,2-diphenyl-1,2-ethanediol,unii-co9a49a84i,meso-stilbene glycol,1r,2s-1,2-diphenylethane-1,2-diol,meso-1,2-diphenylethylene glycol,hydrobenzoin, meso,unii-q61g3433lb component |
| IUPAC Name | 1,2-diphenylethane-1,2-diol |
| InChI Key | IHPDTPWNFBQHEB-UHFFFAOYNA-N |
| Molecular Formula | C14H14O2 |
Pentaerythritol 98.0+%, TCI America™
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 |
Dimethyl Malonate 98.0+%, TCI America™
CAS: 108-59-8 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00008460 InChI Key: BEPAFCGSDWSTEL-UHFFFAOYSA-N Synonym: dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester PubChem CID: 7943 IUPAC Name: dimethyl propanedioate SMILES: COC(=O)CC(=O)OC
| PubChem CID | 7943 |
|---|---|
| CAS | 108-59-8 |
| Molecular Weight (g/mol) | 132.115 |
| MDL Number | MFCD00008460 |
| SMILES | COC(=O)CC(=O)OC |
| Synonym | dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester |
| IUPAC Name | dimethyl propanedioate |
| InChI Key | BEPAFCGSDWSTEL-UHFFFAOYSA-N |
| Molecular Formula | C5H8O4 |
3,4-Dimethoxy-3-cyclobutene-1,2-dione 98.0+%, TCI America™
CAS: 5222-73-1 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00101316 InChI Key: SZBNZTGCAMLMJY-UHFFFAOYSA-N PubChem CID: 123227 IUPAC Name: 3,4-dimethoxycyclobut-3-ene-1,2-dione SMILES: COC1=C(C(=O)C1=O)OC
| PubChem CID | 123227 |
|---|---|
| CAS | 5222-73-1 |
| Molecular Weight (g/mol) | 142.11 |
| MDL Number | MFCD00101316 |
| SMILES | COC1=C(C(=O)C1=O)OC |
| IUPAC Name | 3,4-dimethoxycyclobut-3-ene-1,2-dione |
| InChI Key | SZBNZTGCAMLMJY-UHFFFAOYSA-N |
| Molecular Formula | C6H6O4 |
Tetrakis(2,4-pentanedionato)zirconium(IV), TCI America™
CAS: 17501-44-9 Molecular Formula: C20H28O8Zr Molecular Weight (g/mol): 487.66 MDL Number: MFCD00000036 InChI Key: DFPGFWYWSAYLCW-UHFFFAOYSA-N Synonym: 4-hydroxypent-3-en-2-one; zirconium PubChem CID: 50912253 IUPAC Name: zirconium(4+) tetrakis(2,4-dioxopentan-3-ide) SMILES: [Zr+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O
| PubChem CID | 50912253 |
|---|---|
| CAS | 17501-44-9 |
| Molecular Weight (g/mol) | 487.66 |
| MDL Number | MFCD00000036 |
| SMILES | [Zr+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O |
| Synonym | 4-hydroxypent-3-en-2-one; zirconium |
| IUPAC Name | zirconium(4+) tetrakis(2,4-dioxopentan-3-ide) |
| InChI Key | DFPGFWYWSAYLCW-UHFFFAOYSA-N |
| Molecular Formula | C20H28O8Zr |
4-Methyl-4-nitrovaleraldehyde 90.0+%, TCI America™
CAS: 57620-49-2 Molecular Formula: C6H11NO3 Molecular Weight (g/mol): 145.16 MDL Number: MFCD09030771 InChI Key: YDVAFDALOGXWTO-UHFFFAOYSA-N Synonym: 4-Methyl-4-nitropentanal PubChem CID: 12264009 IUPAC Name: 4-methyl-4-nitropentanal SMILES: CC(C)(CCC=O)[N+]([O-])=O
| PubChem CID | 12264009 |
|---|---|
| CAS | 57620-49-2 |
| Molecular Weight (g/mol) | 145.16 |
| MDL Number | MFCD09030771 |
| SMILES | CC(C)(CCC=O)[N+]([O-])=O |
| Synonym | 4-Methyl-4-nitropentanal |
| IUPAC Name | 4-methyl-4-nitropentanal |
| InChI Key | YDVAFDALOGXWTO-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO3 |
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 |
3'-Methoxyacetophenone 97.0+%, TCI America™
CAS: 586-37-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008736 InChI Key: BAYUSCHCCGXLAY-UHFFFAOYSA-N Synonym: 3'-methoxyacetophenone,3-methoxyacetophenone,3-acetylanisole,m-methoxyacetophenone,1-3-methoxyphenyl ethanone,ethanone, 1-3-methoxyphenyl,m-acetanisole,acetophenone, m-methoxy,1-3-methoxyphenyl ethan-1-one,acetophenone, 3'-methoxy PubChem CID: 11460 IUPAC Name: 1-(3-methoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)OC
| PubChem CID | 11460 |
|---|---|
| CAS | 586-37-8 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008736 |
| SMILES | CC(=O)C1=CC(=CC=C1)OC |
| Synonym | 3'-methoxyacetophenone,3-methoxyacetophenone,3-acetylanisole,m-methoxyacetophenone,1-3-methoxyphenyl ethanone,ethanone, 1-3-methoxyphenyl,m-acetanisole,acetophenone, m-methoxy,1-3-methoxyphenyl ethan-1-one,acetophenone, 3'-methoxy |
| IUPAC Name | 1-(3-methoxyphenyl)ethanone |
| InChI Key | BAYUSCHCCGXLAY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |