Organooxygen compounds
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1,1,3,3-Tetramethoxypropane 98.0+%, TCI America™
CAS: 102-52-3 Molecular Formula: C7H16O4 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008488 InChI Key: XHTYQFMRBQUCPX-UHFFFAOYSA-N Synonym: propane, 1,1,3,3-tetramethoxy,tetramethoxypropane,malonaldehyde bis dimethyl acetal,malonaldehyde tetramethyl acetal,malonaldehyde, bis dimethyl acetal,1,1,3,3-tetramethoxy-propane,malonaldehyde bis dime,1,3,3-tetramethoxypropane,ksc174o0b,propane,1,3,3-tetramethoxy PubChem CID: 66019 IUPAC Name: 1,1,3,3-tetramethoxypropane SMILES: COC(CC(OC)OC)OC
| PubChem CID | 66019 |
|---|---|
| CAS | 102-52-3 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00008488 |
| SMILES | COC(CC(OC)OC)OC |
| Synonym | propane, 1,1,3,3-tetramethoxy,tetramethoxypropane,malonaldehyde bis dimethyl acetal,malonaldehyde tetramethyl acetal,malonaldehyde, bis dimethyl acetal,1,1,3,3-tetramethoxy-propane,malonaldehyde bis dime,1,3,3-tetramethoxypropane,ksc174o0b,propane,1,3,3-tetramethoxy |
| IUPAC Name | 1,1,3,3-tetramethoxypropane |
| InChI Key | XHTYQFMRBQUCPX-UHFFFAOYSA-N |
| Molecular Formula | C7H16O4 |
9-Phenylxanthen-9-ol, TCI America™
CAS: 596-38-3 Molecular Formula: C19H14O2 Molecular Weight (g/mol): 274.319 MDL Number: MFCD00005058 InChI Key: CVZUPKFPOSRRSK-UHFFFAOYSA-N Synonym: 9-phenyl-9h-xanthen-9-ol,9h-xanthen-9-ol, 9-phenyl,9-phenyl-9-xanthenol,9-phenylxanthydrol,9-phenyl-xanthenol,acmc-209meu,9-phenyl-9h-xanthen-9-ol # PubChem CID: 68997 IUPAC Name: 9-phenylxanthen-9-ol SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O
| PubChem CID | 68997 |
|---|---|
| CAS | 596-38-3 |
| Molecular Weight (g/mol) | 274.319 |
| MDL Number | MFCD00005058 |
| SMILES | C1=CC=C(C=C1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O |
| Synonym | 9-phenyl-9h-xanthen-9-ol,9h-xanthen-9-ol, 9-phenyl,9-phenyl-9-xanthenol,9-phenylxanthydrol,9-phenyl-xanthenol,acmc-209meu,9-phenyl-9h-xanthen-9-ol # |
| IUPAC Name | 9-phenylxanthen-9-ol |
| InChI Key | CVZUPKFPOSRRSK-UHFFFAOYSA-N |
| Molecular Formula | C19H14O2 |
Polyethylene Glycol Monooleyl Ether (n=approx. 2), TCI America™
CAS: 9004-98-2 Molecular Formula: C58H116O21 Molecular Weight (g/mol): 1149.55 MDL Number: MFCD00074369 InChI Key: TVSFHLHLHUYZNN-KTKRTIGZSA-N Synonym: emulphor,brij 97,oleth-4,emulphor on-870,oleth-20,oleth-23,volpo 20,brij 98,brij 96,emulphor o PubChem CID: 5364713 IUPAC Name: (69Z)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-icosaoxaoctaheptacont-69-en-1-ol SMILES: CCCCCCCC\C=C/CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
| PubChem CID | 5364713 |
|---|---|
| CAS | 9004-98-2 |
| Molecular Weight (g/mol) | 1149.55 |
| MDL Number | MFCD00074369 |
| SMILES | CCCCCCCC\C=C/CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| Synonym | emulphor,brij 97,oleth-4,emulphor on-870,oleth-20,oleth-23,volpo 20,brij 98,brij 96,emulphor o |
| IUPAC Name | (69Z)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-icosaoxaoctaheptacont-69-en-1-ol |
| InChI Key | TVSFHLHLHUYZNN-KTKRTIGZSA-N |
| Molecular Formula | C58H116O21 |
3-Pyridinecarboxaldehyde 98.0+%, TCI America™
CAS: 500-22-1 Molecular Formula: C6H5NO Molecular Weight (g/mol): 107.112 MDL Number: MFCD00006382 InChI Key: QJZUKDFHGGYHMC-UHFFFAOYSA-N Synonym: 3-pyridinecarboxaldehyde,nicotinaldehyde,3-pyridinaldehyde,pyridine-3-carboxaldehyde,3-pyridylcarboxaldehyde,3-pyridylaldehyde,nicotinealdehyde,3-formylpyridine,pyridine-3-aldehyde,nicotinic aldehyde PubChem CID: 10371 ChEBI: CHEBI:28345 IUPAC Name: pyridine-3-carbaldehyde SMILES: C1=CC(=CN=C1)C=O
| PubChem CID | 10371 |
|---|---|
| CAS | 500-22-1 |
| Molecular Weight (g/mol) | 107.112 |
| ChEBI | CHEBI:28345 |
| MDL Number | MFCD00006382 |
| SMILES | C1=CC(=CN=C1)C=O |
| Synonym | 3-pyridinecarboxaldehyde,nicotinaldehyde,3-pyridinaldehyde,pyridine-3-carboxaldehyde,3-pyridylcarboxaldehyde,3-pyridylaldehyde,nicotinealdehyde,3-formylpyridine,pyridine-3-aldehyde,nicotinic aldehyde |
| IUPAC Name | pyridine-3-carbaldehyde |
| InChI Key | QJZUKDFHGGYHMC-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO |
trans-4-Propylcyclohexanol 95.0+%, TCI America™
CAS: 77866-58-1 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.24 MDL Number: MFCD00091618,MFCD11114411 InChI Key: YVPZFPKENDZQEJ-UHFFFAOYSA-N PubChem CID: 2775094 IUPAC Name: 4-propylcyclohexan-1-ol SMILES: CCCC1CCC(O)CC1
| PubChem CID | 2775094 |
|---|---|
| CAS | 77866-58-1 |
| Molecular Weight (g/mol) | 142.24 |
| MDL Number | MFCD00091618,MFCD11114411 |
| SMILES | CCCC1CCC(O)CC1 |
| IUPAC Name | 4-propylcyclohexan-1-ol |
| InChI Key | YVPZFPKENDZQEJ-UHFFFAOYSA-N |
| Molecular Formula | C9H18O |
3-Mercapto-1-hexanol 98.0+%, TCI America™
CAS: 51755-83-0 Molecular Formula: C6H14OS Molecular Weight (g/mol): 134.237 MDL Number: MFCD00792515 InChI Key: TYZFMFVWHZKYSE-UHFFFAOYSA-N Synonym: 3-mercapto-1-hexanol,3-mercaptohexanol,3-mercaptohexan-1-ol,1-hexanol, 3-mercapto,3-thiohexan-1-ol,3-sulphanylhexan-1-ol,3-sulfanyl-1-hexanol,3-thiohexanol,acmc-209kvm,3-mercapto-hexan-1-ol PubChem CID: 521348 ChEBI: CHEBI:77690 IUPAC Name: 3-sulfanylhexan-1-ol SMILES: CCCC(CCO)S
| PubChem CID | 521348 |
|---|---|
| CAS | 51755-83-0 |
| Molecular Weight (g/mol) | 134.237 |
| ChEBI | CHEBI:77690 |
| MDL Number | MFCD00792515 |
| SMILES | CCCC(CCO)S |
| Synonym | 3-mercapto-1-hexanol,3-mercaptohexanol,3-mercaptohexan-1-ol,1-hexanol, 3-mercapto,3-thiohexan-1-ol,3-sulphanylhexan-1-ol,3-sulfanyl-1-hexanol,3-thiohexanol,acmc-209kvm,3-mercapto-hexan-1-ol |
| IUPAC Name | 3-sulfanylhexan-1-ol |
| InChI Key | TYZFMFVWHZKYSE-UHFFFAOYSA-N |
| Molecular Formula | C6H14OS |
5-Chloro-2-pyridinecarboxaldehyde 98.0+%, TCI America™
CAS: 31181-89-2 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.554 MDL Number: MFCD08277271 InChI Key: YYLBDBOSXXSZQQ-UHFFFAOYSA-N Synonym: 5-Chloro-2-formylpyridine, 5-Chloropicolinaldehyde PubChem CID: 10103267 IUPAC Name: 5-chloropyridine-2-carbaldehyde SMILES: C1=CC(=NC=C1Cl)C=O
| PubChem CID | 10103267 |
|---|---|
| CAS | 31181-89-2 |
| Molecular Weight (g/mol) | 141.554 |
| MDL Number | MFCD08277271 |
| SMILES | C1=CC(=NC=C1Cl)C=O |
| Synonym | 5-Chloro-2-formylpyridine, 5-Chloropicolinaldehyde |
| IUPAC Name | 5-chloropyridine-2-carbaldehyde |
| InChI Key | YYLBDBOSXXSZQQ-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
2,2-Bis(4-hydroxycyclohexyl)propane (mixture of isomers) 93.0+%, TCI America™
CAS: 80-04-6 Molecular Formula: C15H28O2 Molecular Weight (g/mol): 240.387 MDL Number: MFCD00019334 InChI Key: CDBAMNGURPMUTG-UHFFFAOYSA-N PubChem CID: 94932 IUPAC Name: 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol SMILES: CC(C)(C1CCC(CC1)O)C2CCC(CC2)O
| PubChem CID | 94932 |
|---|---|
| CAS | 80-04-6 |
| Molecular Weight (g/mol) | 240.387 |
| MDL Number | MFCD00019334 |
| SMILES | CC(C)(C1CCC(CC1)O)C2CCC(CC2)O |
| IUPAC Name | 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol |
| InChI Key | CDBAMNGURPMUTG-UHFFFAOYSA-N |
| Molecular Formula | C15H28O2 |
1-Butoxy-2-propanol 96.0+%, TCI America™
CAS: 5131-66-8 Molecular Formula: C7H16O2 Molecular Weight (g/mol): 132.203 MDL Number: MFCD00021904 InChI Key: RWNUSVWFHDHRCJ-UHFFFAOYSA-N Synonym: Propylene Glycol 1-Monobutyl Ether PubChem CID: 21210 IUPAC Name: 1-butoxypropan-2-ol SMILES: CCCCOCC(C)O
| PubChem CID | 21210 |
|---|---|
| CAS | 5131-66-8 |
| Molecular Weight (g/mol) | 132.203 |
| MDL Number | MFCD00021904 |
| SMILES | CCCCOCC(C)O |
| Synonym | Propylene Glycol 1-Monobutyl Ether |
| IUPAC Name | 1-butoxypropan-2-ol |
| InChI Key | RWNUSVWFHDHRCJ-UHFFFAOYSA-N |
| Molecular Formula | C7H16O2 |
4-tert-Butoxybenzaldehyde 98.0+%, TCI America™
CAS: 57699-45-3 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00040800 InChI Key: VWSFZYXXQDKXKQ-UHFFFAOYSA-N Synonym: 4-tert-butoxy benzaldehyde,4-tert-butoxybenzaldehyde,p-tert-butoxybenzaldehyde,benzaldehyde, 4-1,1-dimethylethoxy,4-2-methylpropan-2-yl oxy benzaldehyde,4-t-butoxybenzaldehyde,acmc-209lzx,4-t-butyloxybenzaldehyde,4-t-butoxy benzaldehyde,p-tert.-butoxy-benzaldehyde PubChem CID: 93774 IUPAC Name: 4-[(2-methylpropan-2-yl)oxy]benzaldehyde SMILES: CC(C)(C)OC1=CC=C(C=C1)C=O
| PubChem CID | 93774 |
|---|---|
| CAS | 57699-45-3 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00040800 |
| SMILES | CC(C)(C)OC1=CC=C(C=C1)C=O |
| Synonym | 4-tert-butoxy benzaldehyde,4-tert-butoxybenzaldehyde,p-tert-butoxybenzaldehyde,benzaldehyde, 4-1,1-dimethylethoxy,4-2-methylpropan-2-yl oxy benzaldehyde,4-t-butoxybenzaldehyde,acmc-209lzx,4-t-butyloxybenzaldehyde,4-t-butoxy benzaldehyde,p-tert.-butoxy-benzaldehyde |
| IUPAC Name | 4-[(2-methylpropan-2-yl)oxy]benzaldehyde |
| InChI Key | VWSFZYXXQDKXKQ-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
4-Bromosalicylaldehyde 98.0+%, TCI America™
CAS: 22532-62-3 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD06252606 InChI Key: HXTWKHXDFATMSP-UHFFFAOYSA-N Synonym: 4-bromosalicylaldehyde,4-bromo-2-hydroxy-benzaldehyde,2-hydroxy-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-hydroxy,4-bromo-2-hydroxybenzaldheyde,4-bromosalicyladehyde,pubchem16944,acmc-1cq5t,intermediates-zcf02605,4-bromo-2-hydroxybenaldehyde PubChem CID: 4066019 IUPAC Name: 4-bromo-2-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1Br)O)C=O
| PubChem CID | 4066019 |
|---|---|
| CAS | 22532-62-3 |
| Molecular Weight (g/mol) | 201.019 |
| MDL Number | MFCD06252606 |
| SMILES | C1=CC(=C(C=C1Br)O)C=O |
| Synonym | 4-bromosalicylaldehyde,4-bromo-2-hydroxy-benzaldehyde,2-hydroxy-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-hydroxy,4-bromo-2-hydroxybenzaldheyde,4-bromosalicyladehyde,pubchem16944,acmc-1cq5t,intermediates-zcf02605,4-bromo-2-hydroxybenaldehyde |
| IUPAC Name | 4-bromo-2-hydroxybenzaldehyde |
| InChI Key | HXTWKHXDFATMSP-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |
4,6-Diacetylresorcinol 98.0+%, TCI America™
CAS: 2161-85-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00017655 InChI Key: GEYCQLIOGQPPFM-UHFFFAOYSA-N Synonym: 4,6-diacetylresorcinol,resodiacetophenone,1,1'-4,6-dihydroxy-1,3-phenylene bisethanone,ethanone, 1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethanone,1,1'-4,6-dihydroxy-1,3-phenylene diethanone,1,3-diacetyl-4,6-dihydroxybenzene,ethanone,1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethan-1-one,1,1'-4,6-dihydroxy-1,3-phenylene-bis-ethanone PubChem CID: 75097 IUPAC Name: 1-(5-acetyl-2,4-dihydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=CC(C(C)=O)=C(O)C=C1O
| PubChem CID | 75097 |
|---|---|
| CAS | 2161-85-5 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00017655 |
| SMILES | CC(=O)C1=CC(C(C)=O)=C(O)C=C1O |
| Synonym | 4,6-diacetylresorcinol,resodiacetophenone,1,1'-4,6-dihydroxy-1,3-phenylene bisethanone,ethanone, 1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethanone,1,1'-4,6-dihydroxy-1,3-phenylene diethanone,1,3-diacetyl-4,6-dihydroxybenzene,ethanone,1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethan-1-one,1,1'-4,6-dihydroxy-1,3-phenylene-bis-ethanone |
| IUPAC Name | 1-(5-acetyl-2,4-dihydroxyphenyl)ethan-1-one |
| InChI Key | GEYCQLIOGQPPFM-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
1,3-Acetonedicarboxylic Acid 95.0+%, TCI America™
CAS: 542-05-2 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.098 MDL Number: MFCD00002711 InChI Key: OXTNCQMOKLOUAM-UHFFFAOYSA-N Synonym: 1,3-acetonedicarboxylic acid,3-oxoglutaric acid,acetonedicarboxylic acid,pentanedioic acid, 3-oxo,acetone-1,3-dicarboxylic acid,3-ketoglutaric acid,unii-ih7p7wo21p,1,3-acetonedicarboxylic acid; 3-ketoglutaric acid,ih7p7wo21p,acetondicarbonsaure PubChem CID: 68328 IUPAC Name: 3-oxopentanedioic acid SMILES: C(C(=O)CC(=O)O)C(=O)O
| PubChem CID | 68328 |
|---|---|
| CAS | 542-05-2 |
| Molecular Weight (g/mol) | 146.098 |
| MDL Number | MFCD00002711 |
| SMILES | C(C(=O)CC(=O)O)C(=O)O |
| Synonym | 1,3-acetonedicarboxylic acid,3-oxoglutaric acid,acetonedicarboxylic acid,pentanedioic acid, 3-oxo,acetone-1,3-dicarboxylic acid,3-ketoglutaric acid,unii-ih7p7wo21p,1,3-acetonedicarboxylic acid; 3-ketoglutaric acid,ih7p7wo21p,acetondicarbonsaure |
| IUPAC Name | 3-oxopentanedioic acid |
| InChI Key | OXTNCQMOKLOUAM-UHFFFAOYSA-N |
| Molecular Formula | C5H6O5 |
Nonafluoro-tert-butyl Alcohol 98.0+%, TCI America™
CAS: 2378-02-1 Molecular Formula: C4HF9O Molecular Weight (g/mol): 236.04 MDL Number: MFCD00042092 InChI Key: XZNOAVNRSFURIR-UHFFFAOYSA-N Synonym: perfluoro-tert-butanol,nonafluoro-tert-butanol,perfluoro-tert-butyl alcohol,perfluoro-t-butanol,nonafluoro-tert-butyl alcohol,2-propanol, 1,1,1,3,3,3-hexafluoro-2-trifluoromethyl,nonafluor-terc.butanol,1,1,1,3,3,3-hexafluoro-2-trifluoromethyl propan-2-ol,1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-2-propanol,nonafluor-terc.butanol czech PubChem CID: 16924 IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol SMILES: C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O
| PubChem CID | 16924 |
|---|---|
| CAS | 2378-02-1 |
| Molecular Weight (g/mol) | 236.04 |
| MDL Number | MFCD00042092 |
| SMILES | C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O |
| Synonym | perfluoro-tert-butanol,nonafluoro-tert-butanol,perfluoro-tert-butyl alcohol,perfluoro-t-butanol,nonafluoro-tert-butyl alcohol,2-propanol, 1,1,1,3,3,3-hexafluoro-2-trifluoromethyl,nonafluor-terc.butanol,1,1,1,3,3,3-hexafluoro-2-trifluoromethyl propan-2-ol,1,1,1,3,3,3-hexafluoro-2-trifluoromethyl-2-propanol,nonafluor-terc.butanol czech |
| IUPAC Name | 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol |
| InChI Key | XZNOAVNRSFURIR-UHFFFAOYSA-N |
| Molecular Formula | C4HF9O |
trans-4-Amylcyclohexanol 93.0+%, TCI America™
CAS: 77866-59-2 Molecular Formula: C11H22O Molecular Weight (g/mol): 170.30 MDL Number: MFCD01017412,MFCD11114412 InChI Key: VHWGPISIUNUREA-UHFFFAOYSA-N Synonym: trans-4-Pentylcyclohexanol PubChem CID: 41076 IUPAC Name: 4-pentylcyclohexan-1-ol SMILES: CCCCCC1CCC(O)CC1
| PubChem CID | 41076 |
|---|---|
| CAS | 77866-59-2 |
| Molecular Weight (g/mol) | 170.30 |
| MDL Number | MFCD01017412,MFCD11114412 |
| SMILES | CCCCCC1CCC(O)CC1 |
| Synonym | trans-4-Pentylcyclohexanol |
| IUPAC Name | 4-pentylcyclohexan-1-ol |
| InChI Key | VHWGPISIUNUREA-UHFFFAOYSA-N |
| Molecular Formula | C11H22O |