Organooxygen compounds
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tert-Butyl 12-Hydroxy-4,7,10-trioxadodecanoate 97.0+%, TCI America™
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CAS: 186020-66-6 Molecular Formula: C13H26O6 Molecular Weight (g/mol): 278.345 MDL Number: MFCD03791106 InChI Key: KSXVEOLRERRELV-UHFFFAOYSA-N Synonym: 12-Hydroxy-4,7,10-trioxadodecanoic Acid tert-Butyl Ester, tert-Butyl 3-[2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy]propionate, 3-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]propionic Acid tert-Butyl Ester PubChem CID: 3625858 IUPAC Name: tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCO
| PubChem CID | 3625858 |
|---|---|
| CAS | 186020-66-6 |
| Molecular Weight (g/mol) | 278.345 |
| MDL Number | MFCD03791106 |
| SMILES | CC(C)(C)OC(=O)CCOCCOCCOCCO |
| Synonym | 12-Hydroxy-4,7,10-trioxadodecanoic Acid tert-Butyl Ester, tert-Butyl 3-[2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy]propionate, 3-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]propionic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate |
| InChI Key | KSXVEOLRERRELV-UHFFFAOYSA-N |
| Molecular Formula | C13H26O6 |
4'-Acetamido-2'-methylacetophenone 98.0+%, TCI America™
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CAS: 34956-31-5 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD02258876 InChI Key: PTARWPNYVATTDE-UHFFFAOYSA-N Synonym: n-4-acetyl-3-methylphenyl acetamide,4'-acetamido-2'-methylacetophenone,4-acetamido-2-methylacetophenone,pubchem12562,4'-acetyl-3'-methylacetoanilide,n-4-acetyl-3-methyl-phenyl-acetamide,4\\'-acetamido-2\\'-methylacetophenone,n-4-ethanoyl-3-methyl-phenyl ethanamide,acetamide, n-4-acetyl-3-methylphenyl PubChem CID: 2737381 IUPAC Name: N-(4-acetyl-3-methylphenyl)acetamide SMILES: CC(=O)NC1=CC(C)=C(C=C1)C(C)=O
| PubChem CID | 2737381 |
|---|---|
| CAS | 34956-31-5 |
| Molecular Weight (g/mol) | 191.23 |
| MDL Number | MFCD02258876 |
| SMILES | CC(=O)NC1=CC(C)=C(C=C1)C(C)=O |
| Synonym | n-4-acetyl-3-methylphenyl acetamide,4'-acetamido-2'-methylacetophenone,4-acetamido-2-methylacetophenone,pubchem12562,4'-acetyl-3'-methylacetoanilide,n-4-acetyl-3-methyl-phenyl-acetamide,4\\'-acetamido-2\\'-methylacetophenone,n-4-ethanoyl-3-methyl-phenyl ethanamide,acetamide, n-4-acetyl-3-methylphenyl |
| IUPAC Name | N-(4-acetyl-3-methylphenyl)acetamide |
| InChI Key | PTARWPNYVATTDE-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO2 |
4-(Hexyloxy)benzaldehyde 98.0+%, TCI America™
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CAS: 5736-94-7 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00016615 InChI Key: GWXUVWKBVROFDM-UHFFFAOYSA-N Synonym: 4-hexyloxy benzaldehyde,4-hexyloxybenzaldehyde,4-n-hexyloxybenzaldehyde,p-hexyloxybenzaldehyde,benzaldehyde, 4-hexyloxy,benzaldehyde, p-hexyloxy,p-hexyloxy benzaldehyde,p-hexoxybenzaldehyde,4-hexyloxbenzaldehyde,p-n-hexyloxybenzaldehyde PubChem CID: 79816 IUPAC Name: 4-hexoxybenzaldehyde SMILES: CCCCCCOC1=CC=C(C=C1)C=O
| PubChem CID | 79816 |
|---|---|
| CAS | 5736-94-7 |
| Molecular Weight (g/mol) | 206.285 |
| MDL Number | MFCD00016615 |
| SMILES | CCCCCCOC1=CC=C(C=C1)C=O |
| Synonym | 4-hexyloxy benzaldehyde,4-hexyloxybenzaldehyde,4-n-hexyloxybenzaldehyde,p-hexyloxybenzaldehyde,benzaldehyde, 4-hexyloxy,benzaldehyde, p-hexyloxy,p-hexyloxy benzaldehyde,p-hexoxybenzaldehyde,4-hexyloxbenzaldehyde,p-n-hexyloxybenzaldehyde |
| IUPAC Name | 4-hexoxybenzaldehyde |
| InChI Key | GWXUVWKBVROFDM-UHFFFAOYSA-N |
| Molecular Formula | C13H18O2 |
Ethyl 1,1,2,3,3,3-Hexafluoropropyl Ether 98.0+%, TCI America™
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Methyl Trifluoropyruvate 98.0+%, TCI America™
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CAS: 13089-11-7 Molecular Formula: C4H3F3O3 Molecular Weight (g/mol): 156.06 MDL Number: MFCD00114936 InChI Key: XGLLQDIWQRQROJ-UHFFFAOYSA-N Synonym: methyl trifluoropyruvate,methyl 3,3,3-trifluoropyruvate,methyltrifluoropyruvate,trifluoropyruvic acid methyl ester,3,3,3-trifluoropyruvic acid methyl ester,propanoic acid, 3,3,3-trifluoro-2-oxo-, methyl ester,pubchem2012,rarechem al bf 1300,acmc-1bp0j PubChem CID: 2734931 IUPAC Name: methyl 3,3,3-trifluoro-2-oxopropanoate SMILES: COC(=O)C(=O)C(F)(F)F
| PubChem CID | 2734931 |
|---|---|
| CAS | 13089-11-7 |
| Molecular Weight (g/mol) | 156.06 |
| MDL Number | MFCD00114936 |
| SMILES | COC(=O)C(=O)C(F)(F)F |
| Synonym | methyl trifluoropyruvate,methyl 3,3,3-trifluoropyruvate,methyltrifluoropyruvate,trifluoropyruvic acid methyl ester,3,3,3-trifluoropyruvic acid methyl ester,propanoic acid, 3,3,3-trifluoro-2-oxo-, methyl ester,pubchem2012,rarechem al bf 1300,acmc-1bp0j |
| IUPAC Name | methyl 3,3,3-trifluoro-2-oxopropanoate |
| InChI Key | XGLLQDIWQRQROJ-UHFFFAOYSA-N |
| Molecular Formula | C4H3F3O3 |
4,4,4-Trifluoro-1-(2-thienyl)-1,3-butanedione 98.0+%, TCI America™
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CAS: 326-91-0 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.18 MDL Number: MFCD00005445 InChI Key: TXBBUSUXYMIVOS-UHFFFAOYSA-N Synonym: 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone PubChem CID: 5601 IUPAC Name: 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CS1
| PubChem CID | 5601 |
|---|---|
| CAS | 326-91-0 |
| Molecular Weight (g/mol) | 222.18 |
| MDL Number | MFCD00005445 |
| SMILES | FC(F)(F)C(=O)CC(=O)C1=CC=CS1 |
| Synonym | 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone |
| IUPAC Name | 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione |
| InChI Key | TXBBUSUXYMIVOS-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2S |
2-Chloroethyl Propyl Ether 97.0+%, TCI America™
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CAS: 42149-74-6 Molecular Formula: C5H11ClO Molecular Weight (g/mol): 122.592 MDL Number: MFCD00059052 InChI Key: BHDSGQOSIWVMJW-UHFFFAOYSA-N Synonym: 2-Propoxyethyl Chloride PubChem CID: 123506 IUPAC Name: 1-(2-chloroethoxy)propane SMILES: CCCOCCCl
| PubChem CID | 123506 |
|---|---|
| CAS | 42149-74-6 |
| Molecular Weight (g/mol) | 122.592 |
| MDL Number | MFCD00059052 |
| SMILES | CCCOCCCl |
| Synonym | 2-Propoxyethyl Chloride |
| IUPAC Name | 1-(2-chloroethoxy)propane |
| InChI Key | BHDSGQOSIWVMJW-UHFFFAOYSA-N |
| Molecular Formula | C5H11ClO |
cis-1,4-Cyclohexanediol 97.0+%, TCI America™
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CAS: 931-71-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00001448,MFCD00063612,MFCD00075462 InChI Key: VKONPUDBRVKQLM-UHFFFAOYSA-N Synonym: cis-1,4-Dihydroxycyclohexane PubChem CID: 11162 IUPAC Name: cyclohexane-1,4-diol SMILES: OC1CCC(O)CC1
| PubChem CID | 11162 |
|---|---|
| CAS | 931-71-5 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00001448,MFCD00063612,MFCD00075462 |
| SMILES | OC1CCC(O)CC1 |
| Synonym | cis-1,4-Dihydroxycyclohexane |
| IUPAC Name | cyclohexane-1,4-diol |
| InChI Key | VKONPUDBRVKQLM-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
alpha-Thioglycerol 98.0+%, TCI America™
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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 |
3-Buten-1-ol 98.0+%, TCI America™
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CAS: 627-27-0 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.107 MDL Number: MFCD00002959 InChI Key: ZSPTYLOMNJNZNG-UHFFFAOYSA-N Synonym: 3-buten-1-ol,allylcarbinol,3-butenyl alcohol,1-buten-4-ol,vinylethyl alcohol,3-butene-1-ol,ch2=chch2ch2oh,homoallyl alcohol,unii-3db2krm1i9,1-hydroxy-3-butene PubChem CID: 69389 IUPAC Name: but-3-en-1-ol SMILES: C=CCCO
| PubChem CID | 69389 |
|---|---|
| CAS | 627-27-0 |
| Molecular Weight (g/mol) | 72.107 |
| MDL Number | MFCD00002959 |
| SMILES | C=CCCO |
| Synonym | 3-buten-1-ol,allylcarbinol,3-butenyl alcohol,1-buten-4-ol,vinylethyl alcohol,3-butene-1-ol,ch2=chch2ch2oh,homoallyl alcohol,unii-3db2krm1i9,1-hydroxy-3-butene |
| IUPAC Name | but-3-en-1-ol |
| InChI Key | ZSPTYLOMNJNZNG-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
Pentaethylene Glycol Monododecyl Ether 98.0+%, TCI America™
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CAS: 3055-95-6 Molecular Formula: C22H46O6 Molecular Weight (g/mol): 406.60 MDL Number: MFCD00043064 InChI Key: LAPRIVJANDLWOK-UHFFFAOYSA-N PubChem CID: 18281 IUPAC Name: 3,6,9,12,15-pentaoxaheptacosan-1-ol SMILES: CCCCCCCCCCCCOCCOCCOCCOCCOCCO
| PubChem CID | 18281 |
|---|---|
| CAS | 3055-95-6 |
| Molecular Weight (g/mol) | 406.60 |
| MDL Number | MFCD00043064 |
| SMILES | CCCCCCCCCCCCOCCOCCOCCOCCOCCO |
| IUPAC Name | 3,6,9,12,15-pentaoxaheptacosan-1-ol |
| InChI Key | LAPRIVJANDLWOK-UHFFFAOYSA-N |
| Molecular Formula | C22H46O6 |
5-Thiazolemethanol 98.0+%, TCI America™
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CAS: 38585-74-9 Molecular Formula: C4H5NOS Molecular Weight (g/mol): 115.15 MDL Number: MFCD04115732 InChI Key: WKBQQWDVVHGWDB-UHFFFAOYSA-N Synonym: 5-hydroxymethylthiazole,5-hydroxymethyl thiazole,thiazol-5-ylmethanol,5-thiazolemethanol,thiazole-5-methanol,thiazol-5-yl-methanol,thiazol-5-yl methanol,5-thiazolylmethanol,5-hydroxymethyl-1,3-thiazole PubChem CID: 2763216 IUPAC Name: 1,3-thiazol-5-ylmethanol SMILES: C1=C(SC=N1)CO
| PubChem CID | 2763216 |
|---|---|
| CAS | 38585-74-9 |
| Molecular Weight (g/mol) | 115.15 |
| MDL Number | MFCD04115732 |
| SMILES | C1=C(SC=N1)CO |
| Synonym | 5-hydroxymethylthiazole,5-hydroxymethyl thiazole,thiazol-5-ylmethanol,5-thiazolemethanol,thiazole-5-methanol,thiazol-5-yl-methanol,thiazol-5-yl methanol,5-thiazolylmethanol,5-hydroxymethyl-1,3-thiazole |
| IUPAC Name | 1,3-thiazol-5-ylmethanol |
| InChI Key | WKBQQWDVVHGWDB-UHFFFAOYSA-N |
| Molecular Formula | C4H5NOS |
5'-Acetamido-2'-hydroxyacetophenone 98.0+%, TCI America™
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CAS: 7298-67-1 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00100490 InChI Key: DIQSYMRVTOVKQT-UHFFFAOYSA-N Synonym: n-3-acetyl-4-hydroxyphenyl acetamide,n1-3-acetyl-4-hydroxyphenyl acetamide,n-3-acetyl-4-hydroxy-phenyl acetamide,5'-acetamido-2'-hydroxyacetophenone,acetamide, n-3-acetyl-4-hydroxyphenyl,ksc380g7h,3'-acetyl-4'-hydroxyacetanilide,5-acetamido-2-hydroxyacetophenone,5-acetamido-2-hydroxy-acetophenone,n-3-acetyl-4-hydroxyphenyl-acetamide PubChem CID: 81720 IUPAC Name: N-(3-acetyl-4-hydroxyphenyl)acetamide SMILES: CC(=O)C1=C(C=CC(=C1)NC(=O)C)O
| PubChem CID | 81720 |
|---|---|
| CAS | 7298-67-1 |
| Molecular Weight (g/mol) | 193.202 |
| MDL Number | MFCD00100490 |
| SMILES | CC(=O)C1=C(C=CC(=C1)NC(=O)C)O |
| Synonym | n-3-acetyl-4-hydroxyphenyl acetamide,n1-3-acetyl-4-hydroxyphenyl acetamide,n-3-acetyl-4-hydroxy-phenyl acetamide,5'-acetamido-2'-hydroxyacetophenone,acetamide, n-3-acetyl-4-hydroxyphenyl,ksc380g7h,3'-acetyl-4'-hydroxyacetanilide,5-acetamido-2-hydroxyacetophenone,5-acetamido-2-hydroxy-acetophenone,n-3-acetyl-4-hydroxyphenyl-acetamide |
| IUPAC Name | N-(3-acetyl-4-hydroxyphenyl)acetamide |
| InChI Key | DIQSYMRVTOVKQT-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
1-Methylcyclohexanol 97.0+%, TCI America™
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CAS: 590-67-0 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.188 MDL Number: MFCD00003857 InChI Key: VTBOTOBFGSVRMA-UHFFFAOYSA-N Synonym: 1-methylcyclohexanol,cyclohexanol, 1-methyl,1-methyl-1-cyclohexanol,cyclohexanol,methyl,1-methyl-cyclohexanol,1-methylcyclohexyl alcohol,acmc-1b1ai,1-methyl-cyclohexan-1-ol,1-methyl cyclohexanol PubChem CID: 11550 IUPAC Name: 1-methylcyclohexan-1-ol SMILES: CC1(CCCCC1)O
| PubChem CID | 11550 |
|---|---|
| CAS | 590-67-0 |
| Molecular Weight (g/mol) | 114.188 |
| MDL Number | MFCD00003857 |
| SMILES | CC1(CCCCC1)O |
| Synonym | 1-methylcyclohexanol,cyclohexanol, 1-methyl,1-methyl-1-cyclohexanol,cyclohexanol,methyl,1-methyl-cyclohexanol,1-methylcyclohexyl alcohol,acmc-1b1ai,1-methyl-cyclohexan-1-ol,1-methyl cyclohexanol |
| IUPAC Name | 1-methylcyclohexan-1-ol |
| InChI Key | VTBOTOBFGSVRMA-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |
2-Acetylpyrrole 98.0+%, TCI America™
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CAS: 1072-83-9 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00005220 InChI Key: IGJQUJNPMOYEJY-UHFFFAOYSA-N Synonym: 2-acetylpyrrole,1-1h-pyrrol-2-yl ethanone,1-1h-pyrrol-2-yl ethan-1-one,2-acetyl pyrrole,2-pyrrolylethanone,2-acetyl-1h-pyrrole,methyl pyrrol-2-yl ketone,ethanone, 1-1h-pyrrol-2-yl,2-pyrrolyl methyl ketone,ketone, methyl pyrrol-2-yl PubChem CID: 14079 ChEBI: CHEBI:59981 IUPAC Name: 1-(1H-pyrrol-2-yl)ethanone SMILES: CC(=O)C1=CC=CN1
| PubChem CID | 14079 |
|---|---|
| CAS | 1072-83-9 |
| Molecular Weight (g/mol) | 109.128 |
| ChEBI | CHEBI:59981 |
| MDL Number | MFCD00005220 |
| SMILES | CC(=O)C1=CC=CN1 |
| Synonym | 2-acetylpyrrole,1-1h-pyrrol-2-yl ethanone,1-1h-pyrrol-2-yl ethan-1-one,2-acetyl pyrrole,2-pyrrolylethanone,2-acetyl-1h-pyrrole,methyl pyrrol-2-yl ketone,ethanone, 1-1h-pyrrol-2-yl,2-pyrrolyl methyl ketone,ketone, methyl pyrrol-2-yl |
| IUPAC Name | 1-(1H-pyrrol-2-yl)ethanone |
| InChI Key | IGJQUJNPMOYEJY-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |