Organooxygen compounds
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cis-1,2-Cyclohexanedimethanol 97.0+%, TCI America™
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CAS: 15753-50-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00062987,MFCD16660860,MFCD22572336,MFCD19300921,MFCD22572336,MFCD09260493 InChI Key: XDODWINGEHBYRT-UHFFFAOYNA-N Synonym: cis-1,2-Bis(hydroxymethyl)cyclohexane PubChem CID: 2724019 IUPAC Name: [2-(hydroxymethyl)cyclohexyl]methanol SMILES: OCC1CCCCC1CO
| PubChem CID | 2724019 |
|---|---|
| CAS | 15753-50-1 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00062987,MFCD16660860,MFCD22572336,MFCD19300921,MFCD22572336,MFCD09260493 |
| SMILES | OCC1CCCCC1CO |
| Synonym | cis-1,2-Bis(hydroxymethyl)cyclohexane |
| IUPAC Name | [2-(hydroxymethyl)cyclohexyl]methanol |
| InChI Key | XDODWINGEHBYRT-UHFFFAOYNA-N |
| Molecular Formula | C8H16O2 |
n-Octanal Dimethyl Acetal 98.0+%, TCI America™
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CAS: 10022-28-3 Molecular Formula: C10H22O2 Molecular Weight (g/mol): 174.284 MDL Number: MFCD00036644 InChI Key: BZOOCKAFKVYAOZ-UHFFFAOYSA-N Synonym: 1,1-Dimethoxyoctane, n-Octyl Aldehyde Dimethyl Acetal PubChem CID: 61431 IUPAC Name: 1,1-dimethoxyoctane SMILES: CCCCCCCC(OC)OC
| PubChem CID | 61431 |
|---|---|
| CAS | 10022-28-3 |
| Molecular Weight (g/mol) | 174.284 |
| MDL Number | MFCD00036644 |
| SMILES | CCCCCCCC(OC)OC |
| Synonym | 1,1-Dimethoxyoctane, n-Octyl Aldehyde Dimethyl Acetal |
| IUPAC Name | 1,1-dimethoxyoctane |
| InChI Key | BZOOCKAFKVYAOZ-UHFFFAOYSA-N |
| Molecular Formula | C10H22O2 |
5-Fluoro-1-indanone 96.0+%, TCI America™
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CAS: 700-84-5 Molecular Formula: C9H7FO Molecular Weight (g/mol): 150.15 MDL Number: MFCD00041031 InChI Key: WVPPBVAMKNQXJA-UHFFFAOYSA-N Synonym: 5-fluoro-1-indanone,5-fluoro-2,3-dihydro-1h-inden-1-one,5-fluoroindan-1-one,1h-inden-1-one, 5-fluoro-2,3-dihydro,2,3-dihydro-5-fluoro-1h-inden-1-one,5-fluoroindanone,5-fluoro indanone,pubchem2388,5-flouro-1-indanone,pubchem13785 PubChem CID: 136537 IUPAC Name: 5-fluoro-2,3-dihydro-1H-inden-1-one SMILES: FC1=CC=C2C(=O)CCC2=C1
| PubChem CID | 136537 |
|---|---|
| CAS | 700-84-5 |
| Molecular Weight (g/mol) | 150.15 |
| MDL Number | MFCD00041031 |
| SMILES | FC1=CC=C2C(=O)CCC2=C1 |
| Synonym | 5-fluoro-1-indanone,5-fluoro-2,3-dihydro-1h-inden-1-one,5-fluoroindan-1-one,1h-inden-1-one, 5-fluoro-2,3-dihydro,2,3-dihydro-5-fluoro-1h-inden-1-one,5-fluoroindanone,5-fluoro indanone,pubchem2388,5-flouro-1-indanone,pubchem13785 |
| IUPAC Name | 5-fluoro-2,3-dihydro-1H-inden-1-one |
| InChI Key | WVPPBVAMKNQXJA-UHFFFAOYSA-N |
| Molecular Formula | C9H7FO |
cis-1,3-Cyclohexanediol 98.0+%, TCI America™
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CAS: 823-18-7 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 InChI Key: RLMGYIOTPQVQJR-OLQVQODUSA-N Synonym: cis-1,3-Dihydroxycyclohexane PubChem CID: 6432741 IUPAC Name: (1S,3R)-cyclohexane-1,3-diol SMILES: C1CC(CC(C1)O)O
| PubChem CID | 6432741 |
|---|---|
| CAS | 823-18-7 |
| Molecular Weight (g/mol) | 116.16 |
| SMILES | C1CC(CC(C1)O)O |
| Synonym | cis-1,3-Dihydroxycyclohexane |
| IUPAC Name | (1S,3R)-cyclohexane-1,3-diol |
| InChI Key | RLMGYIOTPQVQJR-OLQVQODUSA-N |
| Molecular Formula | C6H12O2 |
1-Bromo-4-methoxybutane 98.0+%, TCI America™
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CAS: 4457-67-4 Molecular Formula: C5H11BrO Molecular Weight (g/mol): 167.046 MDL Number: MFCD00037102 InChI Key: ALOQTNHQNMYBDE-UHFFFAOYSA-N Synonym: 4-Bromobutyl Methyl Ether PubChem CID: 521168 IUPAC Name: 1-bromo-4-methoxybutane SMILES: COCCCCBr
| PubChem CID | 521168 |
|---|---|
| CAS | 4457-67-4 |
| Molecular Weight (g/mol) | 167.046 |
| MDL Number | MFCD00037102 |
| SMILES | COCCCCBr |
| Synonym | 4-Bromobutyl Methyl Ether |
| IUPAC Name | 1-bromo-4-methoxybutane |
| InChI Key | ALOQTNHQNMYBDE-UHFFFAOYSA-N |
| Molecular Formula | C5H11BrO |
2',4'-Difluoropropiophenone 98.0+%, TCI America™
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CAS: 85068-30-0 Molecular Formula: C9H8F2O Molecular Weight (g/mol): 170.16 MDL Number: MFCD00015507 InChI Key: UZWOADNMVRRYDE-UHFFFAOYSA-N Synonym: 2',4'-difluoropropiophenone,1-2,4-difluorophenyl propan-1-one,2,4-difluoropropiophenone,1-propanone, 1-2,4-difluorophenyl,2,4-defluoropropiophenone,1-2,4-difluorophenyl-1-propanone,1-2.4-difluoro-phenyl-propan-1-one,acmc-209q3o,ksc654a2r PubChem CID: 123586 IUPAC Name: 1-(2,4-difluorophenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(F)C=C1F
| PubChem CID | 123586 |
|---|---|
| CAS | 85068-30-0 |
| Molecular Weight (g/mol) | 170.16 |
| MDL Number | MFCD00015507 |
| SMILES | CCC(=O)C1=CC=C(F)C=C1F |
| Synonym | 2',4'-difluoropropiophenone,1-2,4-difluorophenyl propan-1-one,2,4-difluoropropiophenone,1-propanone, 1-2,4-difluorophenyl,2,4-defluoropropiophenone,1-2,4-difluorophenyl-1-propanone,1-2.4-difluoro-phenyl-propan-1-one,acmc-209q3o,ksc654a2r |
| IUPAC Name | 1-(2,4-difluorophenyl)propan-1-one |
| InChI Key | UZWOADNMVRRYDE-UHFFFAOYSA-N |
| Molecular Formula | C9H8F2O |
Monomethyl Potassium Malonate 98.0+%, TCI America™
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CAS: 38330-80-2 Molecular Formula: C4H5KO4 Molecular Weight (g/mol): 156.178 MDL Number: MFCD00014021 InChI Key: WWTULTKUWBKVGV-UHFFFAOYSA-M Synonym: potassium 3-methoxy-3-oxopropanoate,methyl potassium malonate,potassium methyl malonate,propanedioic acid, monomethyl ester, potassium salt,potassium monomethyl malonate,monomethyl malonate potassium salt,hydrogen methyl malonate potassium salt,monomethylpotassiummalonate,acmc-209vp4,ksc226a9d PubChem CID: 2724687 IUPAC Name: potassium;3-methoxy-3-oxopropanoate SMILES: COC(=O)CC(=O)[O-].[K+]
| PubChem CID | 2724687 |
|---|---|
| CAS | 38330-80-2 |
| Molecular Weight (g/mol) | 156.178 |
| MDL Number | MFCD00014021 |
| SMILES | COC(=O)CC(=O)[O-].[K+] |
| Synonym | potassium 3-methoxy-3-oxopropanoate,methyl potassium malonate,potassium methyl malonate,propanedioic acid, monomethyl ester, potassium salt,potassium monomethyl malonate,monomethyl malonate potassium salt,hydrogen methyl malonate potassium salt,monomethylpotassiummalonate,acmc-209vp4,ksc226a9d |
| IUPAC Name | potassium;3-methoxy-3-oxopropanoate |
| InChI Key | WWTULTKUWBKVGV-UHFFFAOYSA-M |
| Molecular Formula | C4H5KO4 |
Dodecyl Ether 95.0+%, TCI America™
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CAS: 4542-57-8 Molecular Formula: C24H50O Molecular Weight (g/mol): 354.66 MDL Number: MFCD00026590 InChI Key: CMCBDXRRFKYBDG-UHFFFAOYSA-N Synonym: Didodecyl Ether, Dilauryl Ether, Lauryl Ether PubChem CID: 20667 IUPAC Name: 1-(dodecyloxy)dodecane SMILES: CCCCCCCCCCCCOCCCCCCCCCCCC
| PubChem CID | 20667 |
|---|---|
| CAS | 4542-57-8 |
| Molecular Weight (g/mol) | 354.66 |
| MDL Number | MFCD00026590 |
| SMILES | CCCCCCCCCCCCOCCCCCCCCCCCC |
| Synonym | Didodecyl Ether, Dilauryl Ether, Lauryl Ether |
| IUPAC Name | 1-(dodecyloxy)dodecane |
| InChI Key | CMCBDXRRFKYBDG-UHFFFAOYSA-N |
| Molecular Formula | C24H50O |
Butyl Dichloromethyl Ether 98.0+%, TCI America™
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CAS: 5312-73-2 Molecular Formula: C5H10Cl2O Molecular Weight (g/mol): 157.03 MDL Number: MFCD00191420 InChI Key: GVVHBNABFJZWIC-UHFFFAOYSA-N Synonym: Dichloromethyl Butyl Ether PubChem CID: 4278354 IUPAC Name: 1-(dichloromethoxy)butane SMILES: CCCCOC(Cl)Cl
| PubChem CID | 4278354 |
|---|---|
| CAS | 5312-73-2 |
| Molecular Weight (g/mol) | 157.03 |
| MDL Number | MFCD00191420 |
| SMILES | CCCCOC(Cl)Cl |
| Synonym | Dichloromethyl Butyl Ether |
| IUPAC Name | 1-(dichloromethoxy)butane |
| InChI Key | GVVHBNABFJZWIC-UHFFFAOYSA-N |
| Molecular Formula | C5H10Cl2O |
2-Isopropoxyethyl Benzoate 95.0+%, TCI America™
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CAS: 95241-36-4 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00059357 InChI Key: QLSUGJQAAUGJHE-UHFFFAOYSA-N Synonym: Benzoic Acid 2-Isopropoxyethyl Ester, Ethylene Glycol Monoisopropyl Ether Benzoate PubChem CID: 570438 IUPAC Name: 2-propan-2-yloxyethyl benzoate SMILES: CC(C)OCCOC(=O)C1=CC=CC=C1
| PubChem CID | 570438 |
|---|---|
| CAS | 95241-36-4 |
| Molecular Weight (g/mol) | 208.257 |
| MDL Number | MFCD00059357 |
| SMILES | CC(C)OCCOC(=O)C1=CC=CC=C1 |
| Synonym | Benzoic Acid 2-Isopropoxyethyl Ester, Ethylene Glycol Monoisopropyl Ether Benzoate |
| IUPAC Name | 2-propan-2-yloxyethyl benzoate |
| InChI Key | QLSUGJQAAUGJHE-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
4-Acetylphenyl Trifluoromethanesulfonate 98.0+%, TCI America™
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CAS: 109613-00-5 Molecular Formula: C9H7F3O4S Molecular Weight (g/mol): 268.206 MDL Number: MFCD00191706 InChI Key: RUMMIUOXQGFCEP-UHFFFAOYSA-N Synonym: 4-Acetylphenyl Triflate, Trifluoromethanesulfonic Acid 4-Acetylphenyl Ester PubChem CID: 2769355 IUPAC Name: (4-acetylphenyl) trifluoromethanesulfonate SMILES: CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F
| PubChem CID | 2769355 |
|---|---|
| CAS | 109613-00-5 |
| Molecular Weight (g/mol) | 268.206 |
| MDL Number | MFCD00191706 |
| SMILES | CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F |
| Synonym | 4-Acetylphenyl Triflate, Trifluoromethanesulfonic Acid 4-Acetylphenyl Ester |
| IUPAC Name | (4-acetylphenyl) trifluoromethanesulfonate |
| InChI Key | RUMMIUOXQGFCEP-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O4S |
2-Chloromethyl-1,3-dioxolane 95.0+%, TCI America™
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CAS: 2568-30-1 Molecular Formula: C4H7ClO2 Molecular Weight (g/mol): 122.548 MDL Number: MFCD00043402 InChI Key: IKZOMJGRWIOEDP-UHFFFAOYSA-N PubChem CID: 75727 IUPAC Name: 2-(chloromethyl)-1,3-dioxolane SMILES: C1COC(O1)CCl
| PubChem CID | 75727 |
|---|---|
| CAS | 2568-30-1 |
| Molecular Weight (g/mol) | 122.548 |
| MDL Number | MFCD00043402 |
| SMILES | C1COC(O1)CCl |
| IUPAC Name | 2-(chloromethyl)-1,3-dioxolane |
| InChI Key | IKZOMJGRWIOEDP-UHFFFAOYSA-N |
| Molecular Formula | C4H7ClO2 |
(3-Chlorobenzoyl)acetonitrile 97.0+%, TCI America™
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CAS: 21667-62-9 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD00067891 InChI Key: IUDFNNHFARLIPF-UHFFFAOYSA-N Synonym: 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 PubChem CID: 140855 IUPAC Name: 3-(3-chlorophenyl)-3-oxopropanenitrile SMILES: ClC1=CC=CC(=C1)C(=O)CC#N
| PubChem CID | 140855 |
|---|---|
| CAS | 21667-62-9 |
| Molecular Weight (g/mol) | 179.60 |
| MDL Number | MFCD00067891 |
| SMILES | ClC1=CC=CC(=C1)C(=O)CC#N |
| Synonym | 3-chlorobenzoylacetonitrile,3-3-chlorophenyl-3-oxopropanenitrile,3-chlorophenacylcyanide,3-chlorobenzoyl acetonitrile,3-3-chlorophenyl-3-oxo-propanenitrile,beta-ketonitrile 5b,pubchem12046,m-chlorophenacyl cyanide,acmc-1cqmb,maybridge1_004670 |
| IUPAC Name | 3-(3-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | IUDFNNHFARLIPF-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
3-Hepten-2-one 95.0+%, TCI America™
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CAS: 1119-44-4 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00015564 InChI Key: JHHZQADGLDKIPM-AATRIKPKSA-N Synonym: 3-hepten-2-one,butylideneacetone,e-hept-3-en-2-one,3e-3-hepten-2-one,methyl pentenyl ketone,e-3-hepten-2-one,3-hepten-2-one, e,unii-tk02t5fjdo,tk02t5fjdo,3e-hept-3-en-2-one PubChem CID: 5364578 IUPAC Name: (3E)-hept-3-en-2-one SMILES: CCC\C=C\C(C)=O
| PubChem CID | 5364578 |
|---|---|
| CAS | 1119-44-4 |
| Molecular Weight (g/mol) | 112.17 |
| MDL Number | MFCD00015564 |
| SMILES | CCC\C=C\C(C)=O |
| Synonym | 3-hepten-2-one,butylideneacetone,e-hept-3-en-2-one,3e-3-hepten-2-one,methyl pentenyl ketone,e-3-hepten-2-one,3-hepten-2-one, e,unii-tk02t5fjdo,tk02t5fjdo,3e-hept-3-en-2-one |
| IUPAC Name | (3E)-hept-3-en-2-one |
| InChI Key | JHHZQADGLDKIPM-AATRIKPKSA-N |
| Molecular Formula | C7H12O |
(R)-(-)-1,2-Propanediol 97.0+%, TCI America™
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CAS: 4254-14-2 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 MDL Number: MFCD00066248 InChI Key: DNIAPMSPPWPWGF-GSVOUGTGSA-N Synonym: r---1,2-propanediol,r-propane-1,2-diol,2r-propane-1,2-diol,r-1,2-propanediol,r-propylene glycol,2r-1,2-propanediol,r---1,2-dihydroxypropane,unii-602hn5l69h PubChem CID: 259994 ChEBI: CHEBI:28972 IUPAC Name: (2R)-propane-1,2-diol SMILES: CC(CO)O
| PubChem CID | 259994 |
|---|---|
| CAS | 4254-14-2 |
| Molecular Weight (g/mol) | 76.095 |
| ChEBI | CHEBI:28972 |
| MDL Number | MFCD00066248 |
| SMILES | CC(CO)O |
| Synonym | r---1,2-propanediol,r-propane-1,2-diol,2r-propane-1,2-diol,r-1,2-propanediol,r-propylene glycol,2r-1,2-propanediol,r---1,2-dihydroxypropane,unii-602hn5l69h |
| IUPAC Name | (2R)-propane-1,2-diol |
| InChI Key | DNIAPMSPPWPWGF-GSVOUGTGSA-N |
| Molecular Formula | C3H8O2 |