Organooxygen compounds
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Hexachloroacetone, 99%
CAS: 116-16-5 Molecular Formula: C3Cl6O Molecular Weight (g/mol): 264.73 MDL Number: MFCD00000796 InChI Key: DOJXGHGHTWFZHK-UHFFFAOYSA-N Synonym: hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro PubChem CID: 8303 ChEBI: CHEBI:82243 IUPAC Name: 1,1,1,3,3,3-hexachloropropan-2-one SMILES: ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl
| PubChem CID | 8303 |
|---|---|
| CAS | 116-16-5 |
| Molecular Weight (g/mol) | 264.73 |
| ChEBI | CHEBI:82243 |
| MDL Number | MFCD00000796 |
| SMILES | ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl |
| Synonym | hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro |
| IUPAC Name | 1,1,1,3,3,3-hexachloropropan-2-one |
| InChI Key | DOJXGHGHTWFZHK-UHFFFAOYSA-N |
| Molecular Formula | C3Cl6O |
Acetal, 99%
CAS: 105-57-7 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00009243 InChI Key: DHKHKXVYLBGOIT-UHFFFAOYSA-N Synonym: acetal,acetaldehyde diethyl acetal,diethyl acetal,ethane, 1,1-diethoxy,diaethylacetal,acetale,ethylidene diethyl ether,acetal diethylique,diethylacetal,1,1-dietossietano PubChem CID: 7765 IUPAC Name: 1,1-diethoxyethane SMILES: CCOC(C)OCC
| PubChem CID | 7765 |
|---|---|
| CAS | 105-57-7 |
| Molecular Weight (g/mol) | 118.18 |
| MDL Number | MFCD00009243 |
| SMILES | CCOC(C)OCC |
| Synonym | acetal,acetaldehyde diethyl acetal,diethyl acetal,ethane, 1,1-diethoxy,diaethylacetal,acetale,ethylidene diethyl ether,acetal diethylique,diethylacetal,1,1-dietossietano |
| IUPAC Name | 1,1-diethoxyethane |
| InChI Key | DHKHKXVYLBGOIT-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
Chloromethyl ethyl ether, 80%, Tech., stabilized
CAS: 3188-13-4 Molecular Formula: C3H7ClO Molecular Weight (g/mol): 94.54 MDL Number: MFCD00000887 InChI Key: FCYRSDMGOLYDHL-UHFFFAOYSA-N Synonym: chloromethyl ethyl ether,chloromethoxy ethane,ethane, chloromethoxy,chloromethylethylether,ethoxymethyl chloride,ethyl chloromethyl ether,ethoxychloromethane,ether, chloromethyl ethyl,ethoxy methyl chloride PubChem CID: 18523 IUPAC Name: chloromethoxyethane SMILES: CCOCCl
| PubChem CID | 18523 |
|---|---|
| CAS | 3188-13-4 |
| Molecular Weight (g/mol) | 94.54 |
| MDL Number | MFCD00000887 |
| SMILES | CCOCCl |
| Synonym | chloromethyl ethyl ether,chloromethoxy ethane,ethane, chloromethoxy,chloromethylethylether,ethoxymethyl chloride,ethyl chloromethyl ether,ethoxychloromethane,ether, chloromethyl ethyl,ethoxy methyl chloride |
| IUPAC Name | chloromethoxyethane |
| InChI Key | FCYRSDMGOLYDHL-UHFFFAOYSA-N |
| Molecular Formula | C3H7ClO |
Triethyl orthoformate, 98%
CAS: 122-51-0 Molecular Formula: C7H16O3 Molecular Weight (g/mol): 148.2 MDL Number: MFCD00009230 InChI Key: GKASDNZWUGIAMG-UHFFFAOYSA-N Synonym: triethyl orthoformate,triethoxymethane,ethyl orthoformate,aethon,ethone,diethoxymethoxy ethane,methane, triethoxy,ethyl formate ortho,orthoformic acid triethyl ester,orthomravencan ethylnaty PubChem CID: 31214 IUPAC Name: diethoxymethoxyethane SMILES: CCOC(OCC)OCC
| PubChem CID | 31214 |
|---|---|
| CAS | 122-51-0 |
| Molecular Weight (g/mol) | 148.2 |
| MDL Number | MFCD00009230 |
| SMILES | CCOC(OCC)OCC |
| Synonym | triethyl orthoformate,triethoxymethane,ethyl orthoformate,aethon,ethone,diethoxymethoxy ethane,methane, triethoxy,ethyl formate ortho,orthoformic acid triethyl ester,orthomravencan ethylnaty |
| IUPAC Name | diethoxymethoxyethane |
| InChI Key | GKASDNZWUGIAMG-UHFFFAOYSA-N |
| Molecular Formula | C7H16O3 |
cis-2-Butene-1,4-diol, 97%
CAS: 6117-80-2 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00002924,MFCD00063207 InChI Key: ORTVZLZNOYNASJ-UPHRSURJSA-N Synonym: cis-2-butene-1,4-diol,z-2-butene-1,4-diol,cis-butenediol,unii-za7vgu6scv,cis-1,4-dihydroxy-2-butene,z-but-2-ene-1,4-diol,2-butene-1,4-diol,2z-but-2-ene-1,4-diol,2-butene-1,4-diol, z,za7vgu6scv PubChem CID: 643790 SMILES: OC\C=C/CO
| PubChem CID | 643790 |
|---|---|
| CAS | 6117-80-2 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00002924,MFCD00063207 |
| SMILES | OC\C=C/CO |
| Synonym | cis-2-butene-1,4-diol,z-2-butene-1,4-diol,cis-butenediol,unii-za7vgu6scv,cis-1,4-dihydroxy-2-butene,z-but-2-ene-1,4-diol,2-butene-1,4-diol,2z-but-2-ene-1,4-diol,2-butene-1,4-diol, z,za7vgu6scv |
| InChI Key | ORTVZLZNOYNASJ-UPHRSURJSA-N |
| Molecular Formula | C4H8O2 |
Furfural 98.0+%, TCI America™
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CAS: 98-01-1 Molecular Formula: C5H4O2 Molecular Weight (g/mol): 96.09 MDL Number: MFCD00003229 InChI Key: HYBBIBNJHNGZAN-UHFFFAOYSA-N Synonym: furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural PubChem CID: 7362 ChEBI: CHEBI:34768 IUPAC Name: furan-2-carbaldehyde SMILES: O=CC1=CC=CO1
| PubChem CID | 7362 |
|---|---|
| CAS | 98-01-1 |
| Molecular Weight (g/mol) | 96.09 |
| ChEBI | CHEBI:34768 |
| MDL Number | MFCD00003229 |
| SMILES | O=CC1=CC=CO1 |
| Synonym | furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural |
| IUPAC Name | furan-2-carbaldehyde |
| InChI Key | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
| Molecular Formula | C5H4O2 |
Ethyl glyoxylate, ca 50% soln. in toluene
CAS: 924-44-7 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.089 MDL Number: MFCD00044009 InChI Key: DBPFRRFGLYGEJI-UHFFFAOYSA-N Synonym: ethyl glyoxalate,ethyl glyoxylate,ethyl oxoacetate,glyoxylic acid ethyl ester,acetic acid, oxo-, ethyl ester,ethyl glyoxalate solution,unii-ixx9mq1j1i,acetic acid, 2-oxo-, ethyl ester,ixx9mq1j1i,2-oxoacetic acid, ethyl ester PubChem CID: 70211 ChEBI: CHEBI:53275 IUPAC Name: ethyl 2-oxoacetate SMILES: CCOC(=O)C=O
| PubChem CID | 70211 |
|---|---|
| CAS | 924-44-7 |
| Molecular Weight (g/mol) | 102.089 |
| ChEBI | CHEBI:53275 |
| MDL Number | MFCD00044009 |
| SMILES | CCOC(=O)C=O |
| Synonym | ethyl glyoxalate,ethyl glyoxylate,ethyl oxoacetate,glyoxylic acid ethyl ester,acetic acid, oxo-, ethyl ester,ethyl glyoxalate solution,unii-ixx9mq1j1i,acetic acid, 2-oxo-, ethyl ester,ixx9mq1j1i,2-oxoacetic acid, ethyl ester |
| IUPAC Name | ethyl 2-oxoacetate |
| InChI Key | DBPFRRFGLYGEJI-UHFFFAOYSA-N |
| Molecular Formula | C4H6O3 |
1-Naphthaldehyde, 95%
CAS: 66-77-3 Molecular Formula: C11H8O Molecular Weight (g/mol): 156.18 MDL Number: MFCD00004003 InChI Key: SQAINHDHICKHLX-UHFFFAOYSA-N Synonym: 1-naphthaldehyde,1-formylnaphthalene,1-naphthalenecarboxaldehyde,1-naphthylaldehyde,alpha-naphthal,alpha-naphthaldehyde,naphthaldehyde,.alpha.-naphthal,alpha-naphthylcarboxaldehyde,alpha-naphthylaldehyde PubChem CID: 6195 ChEBI: CHEBI:52367 IUPAC Name: naphthalene-1-carbaldehyde SMILES: O=CC1=C2C=CC=CC2=CC=C1
| PubChem CID | 6195 |
|---|---|
| CAS | 66-77-3 |
| Molecular Weight (g/mol) | 156.18 |
| ChEBI | CHEBI:52367 |
| MDL Number | MFCD00004003 |
| SMILES | O=CC1=C2C=CC=CC2=CC=C1 |
| Synonym | 1-naphthaldehyde,1-formylnaphthalene,1-naphthalenecarboxaldehyde,1-naphthylaldehyde,alpha-naphthal,alpha-naphthaldehyde,naphthaldehyde,.alpha.-naphthal,alpha-naphthylcarboxaldehyde,alpha-naphthylaldehyde |
| IUPAC Name | naphthalene-1-carbaldehyde |
| InChI Key | SQAINHDHICKHLX-UHFFFAOYSA-N |
| Molecular Formula | C11H8O |
Poly(vinyl alcohol), 98.0-98.8% hydrolyzed, M.W. approx. 31,000-50,000
CAS: 9002-89-5 Molecular Formula: (C2H4O)n Molecular Weight (g/mol): 44.05 MDL Number: MFCD00081922 InChI Key: IMROMDMJAWUWLK-UHFFFAOYSA-N Synonym: vinyl alcohol,polyvinyl alcohol,hydroxyethene,hydroxyethylene,ethenol, homopolymer,gohsenol,polyviol,elvanol,mowiol,poval PubChem CID: 11199 IUPAC Name: ethenol SMILES: OC(-*)C-*
| PubChem CID | 11199 |
|---|---|
| CAS | 9002-89-5 |
| Molecular Weight (g/mol) | 44.05 |
| MDL Number | MFCD00081922 |
| SMILES | OC(-*)C-* |
| Synonym | vinyl alcohol,polyvinyl alcohol,hydroxyethene,hydroxyethylene,ethenol, homopolymer,gohsenol,polyviol,elvanol,mowiol,poval |
| IUPAC Name | ethenol |
| InChI Key | IMROMDMJAWUWLK-UHFFFAOYSA-N |
| Molecular Formula | (C2H4O)n |
Thermo Scientific Chemicals Shikimic Acid, 98%
CAS: 138-59-0 Molecular Formula: C7H10O5 Molecular Weight (g/mol): 174.15 MDL Number: MFCD00066278 InChI Key: JXOHGGNKMLTUBP-HSUXUTPPSA-M Synonym: shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid PubChem CID: 7057976 ChEBI: CHEBI:36208 IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate SMILES: C1C(C(C(C=C1C(=O)[O-])O)O)O
| PubChem CID | 7057976 |
|---|---|
| CAS | 138-59-0 |
| Molecular Weight (g/mol) | 174.15 |
| ChEBI | CHEBI:36208 |
| MDL Number | MFCD00066278 |
| SMILES | C1C(C(C(C=C1C(=O)[O-])O)O)O |
| Synonym | shikimic acid,shikimate,--shikimic acid,l-shikimic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-enecarboxylic acid,3r,4s,5r-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid,--shikimate,ccris 7681,unii-29ms2wi2nu,3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid |
| IUPAC Name | (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate |
| InChI Key | JXOHGGNKMLTUBP-HSUXUTPPSA-M |
| Molecular Formula | C7H10O5 |
2-Methoxyethanol, for HPLC
CAS: 109-86-4 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.09 InChI Key: XNWFRZJHXBZDAG-UHFFFAOYSA-N Synonym: methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em PubChem CID: 8019 ChEBI: CHEBI:46790 IUPAC Name: 2-methoxyethanol SMILES: COCCO
| PubChem CID | 8019 |
|---|---|
| CAS | 109-86-4 |
| Molecular Weight (g/mol) | 76.09 |
| ChEBI | CHEBI:46790 |
| SMILES | COCCO |
| Synonym | methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em |
| IUPAC Name | 2-methoxyethanol |
| InChI Key | XNWFRZJHXBZDAG-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
2-Bromomalonaldehyde, 97+%
CAS: 2065-75-0 Molecular Formula: C3H3BrO2 Molecular Weight (g/mol): 150.95 InChI Key: SURMYNZXHKLDFO-UHFFFAOYSA-N Synonym: 2-bromomalonaldehyde,bromomalonaldehyde,bromomalondialdehyde,propanedial, bromo,2-bromomalondialdehyde,2-bromo-1,3-propanedial,malonaldehyde, bromo,bromo-malonaldehyde,zlchem 220,2-bromo-malonaldehyde PubChem CID: 74945 IUPAC Name: 2-bromopropanedial SMILES: C(=O)C(C=O)Br
| PubChem CID | 74945 |
|---|---|
| CAS | 2065-75-0 |
| Molecular Weight (g/mol) | 150.95 |
| SMILES | C(=O)C(C=O)Br |
| Synonym | 2-bromomalonaldehyde,bromomalonaldehyde,bromomalondialdehyde,propanedial, bromo,2-bromomalondialdehyde,2-bromo-1,3-propanedial,malonaldehyde, bromo,bromo-malonaldehyde,zlchem 220,2-bromo-malonaldehyde |
| IUPAC Name | 2-bromopropanedial |
| InChI Key | SURMYNZXHKLDFO-UHFFFAOYSA-N |
| Molecular Formula | C3H3BrO2 |
2-Acetylpyridine, 98%
CAS: 1122-62-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.14 InChI Key: AJKVQEKCUACUMD-UHFFFAOYSA-N Synonym: 2-acetylpyridine,1-pyridin-2-yl ethanone,methyl 2-pyridyl ketone,2-acetopyridine,2-pyridyl methyl ketone,acetylpyridine,ethanone, 1-2-pyridinyl,ketone, methyl 2-pyridyl,1-pyridin-2-yl ethan-1-one,1-2-pyridinyl ethanone PubChem CID: 14286 IUPAC Name: 1-pyridin-2-ylethanone SMILES: CC(=O)C1=CC=CC=N1
| PubChem CID | 14286 |
|---|---|
| CAS | 1122-62-9 |
| Molecular Weight (g/mol) | 121.14 |
| SMILES | CC(=O)C1=CC=CC=N1 |
| Synonym | 2-acetylpyridine,1-pyridin-2-yl ethanone,methyl 2-pyridyl ketone,2-acetopyridine,2-pyridyl methyl ketone,acetylpyridine,ethanone, 1-2-pyridinyl,ketone, methyl 2-pyridyl,1-pyridin-2-yl ethan-1-one,1-2-pyridinyl ethanone |
| IUPAC Name | 1-pyridin-2-ylethanone |
| InChI Key | AJKVQEKCUACUMD-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
Thermo Scientific Chemicals Ergosterol, 98%
CAS: 57-87-4 Molecular Formula: C28H44O Molecular Weight (g/mol): 396.64 MDL Number: MFCD00003623 InChI Key: DNVPQKQSNYMLRS-APGDWVJJSA-N Synonym: ergosterol,provitamin d2,unii-z30ray509f,ergosterin,ergosta-5,7,22e-trien-3beta-ol,5,7,22-ergostatrien-3beta-ol,3beta-hydroxy-5,7,22-ergostatriene,22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol,22e-ergosta-5,7,22-trien-3beta-ol,ergosta-5,7,22-trien-3-ol, 3b,22e PubChem CID: 444679 ChEBI: CHEBI:16933 IUPAC Name: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
| PubChem CID | 444679 |
|---|---|
| CAS | 57-87-4 |
| Molecular Weight (g/mol) | 396.64 |
| ChEBI | CHEBI:16933 |
| MDL Number | MFCD00003623 |
| SMILES | CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C |
| Synonym | ergosterol,provitamin d2,unii-z30ray509f,ergosterin,ergosta-5,7,22e-trien-3beta-ol,5,7,22-ergostatrien-3beta-ol,3beta-hydroxy-5,7,22-ergostatriene,22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol,22e-ergosta-5,7,22-trien-3beta-ol,ergosta-5,7,22-trien-3-ol, 3b,22e |
| IUPAC Name | (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| InChI Key | DNVPQKQSNYMLRS-APGDWVJJSA-N |
| Molecular Formula | C28H44O |
2,3-Dimercaptopropanol, 97%
CAS: 59-52-9 Molecular Formula: C3H8OS2 Molecular Weight (g/mol): 124.216 MDL Number: MFCD00004864 InChI Key: WQABCVAJNWAXTE-UHFFFAOYSA-N Synonym: dimercaprol,2,3-dimercapto-1-propanol,2,3-dimercaptopropanol,dithioglycerine,dicaptol,sulfactin,dimercaptopropanol,british anti-lewisite,2,3-dithiopropanol,antoxol PubChem CID: 3080 ChEBI: CHEBI:64198 IUPAC Name: 2,3-bis(sulfanyl)propan-1-ol SMILES: C(C(CS)S)O
| PubChem CID | 3080 |
|---|---|
| CAS | 59-52-9 |
| Molecular Weight (g/mol) | 124.216 |
| ChEBI | CHEBI:64198 |
| MDL Number | MFCD00004864 |
| SMILES | C(C(CS)S)O |
| Synonym | dimercaprol,2,3-dimercapto-1-propanol,2,3-dimercaptopropanol,dithioglycerine,dicaptol,sulfactin,dimercaptopropanol,british anti-lewisite,2,3-dithiopropanol,antoxol |
| IUPAC Name | 2,3-bis(sulfanyl)propan-1-ol |
| InChI Key | WQABCVAJNWAXTE-UHFFFAOYSA-N |
| Molecular Formula | C3H8OS2 |