Organooxygen compounds
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Acetaldehyde, Reagent, ACS, 99.5%, Spectrum™ Chemical
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CAS: 75-07-0 Molecular Formula: C2H4O Molecular Weight (g/mol): 44.05 InChI Key: IKHGUXGNUITLKF-UHFFFAOYSA-N IUPAC Name: acetaldehyde SMILES: CC=O
| CAS | 75-07-0 |
|---|---|
| Molecular Weight (g/mol) | 44.05 |
| SMILES | CC=O |
| IUPAC Name | acetaldehyde |
| InChI Key | IKHGUXGNUITLKF-UHFFFAOYSA-N |
| Molecular Formula | C2H4O |
Tetraethylene glycol dimethyl ether, 98+%
CAS: 143-24-8 Molecular Formula: C10H22O5 Molecular Weight (g/mol): 222.28 MDL Number: MFCD00008505 InChI Key: ZUHZGEOKBKGPSW-UHFFFAOYSA-N Synonym: tetraglyme,tetraethylene glycol dimethyl ether,2,5,8,11,14-pentaoxapentadecane,dimethoxytetraglycol,glyme 5,ansul ether 181at,dimethoxytetraethylene glycol,nissan uniox mm 200,bis 2-2-methoxyethoxy ethyl ether,methyltetraglyme200 PubChem CID: 8925 ChEBI: CHEBI:46785 IUPAC Name: 1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane SMILES: COCCOCCOCCOCCOC
| PubChem CID | 8925 |
|---|---|
| CAS | 143-24-8 |
| Molecular Weight (g/mol) | 222.28 |
| ChEBI | CHEBI:46785 |
| MDL Number | MFCD00008505 |
| SMILES | COCCOCCOCCOCCOC |
| Synonym | tetraglyme,tetraethylene glycol dimethyl ether,2,5,8,11,14-pentaoxapentadecane,dimethoxytetraglycol,glyme 5,ansul ether 181at,dimethoxytetraethylene glycol,nissan uniox mm 200,bis 2-2-methoxyethoxy ethyl ether,methyltetraglyme200 |
| IUPAC Name | 1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane |
| InChI Key | ZUHZGEOKBKGPSW-UHFFFAOYSA-N |
| Molecular Formula | C10H22O5 |
Ascorbic Acid, Reagent, ACS, 99%, Spectrum™ Chemical
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CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N IUPAC Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
| CAS | 50-81-7 |
|---|---|
| Molecular Weight (g/mol) | 176.12 |
| MDL Number | MFCD00064328 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| IUPAC Name | (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
2'-Bromo-6'-fluoroacetophenone, 96%
CAS: 928715-37-1 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.037 InChI Key: ZTLLHQUYOLPVAR-UHFFFAOYSA-N Synonym: 1-2-bromo-6-fluorophenyl ethanone,2'-bromo-6'-fluoroacetophenone,1-2-bromo-6-fluorophenyl ethan-1-one,1-2-bromo-6-fluoro-phenyl ethanone,ethanone, 1-2-bromo-6-fluorophenyl PubChem CID: 66570680 IUPAC Name: 1-(2-bromo-6-fluorophenyl)ethanone SMILES: CC(=O)C1=C(C=CC=C1Br)F
| PubChem CID | 66570680 |
|---|---|
| CAS | 928715-37-1 |
| Molecular Weight (g/mol) | 217.037 |
| SMILES | CC(=O)C1=C(C=CC=C1Br)F |
| Synonym | 1-2-bromo-6-fluorophenyl ethanone,2'-bromo-6'-fluoroacetophenone,1-2-bromo-6-fluorophenyl ethan-1-one,1-2-bromo-6-fluoro-phenyl ethanone,ethanone, 1-2-bromo-6-fluorophenyl |
| IUPAC Name | 1-(2-bromo-6-fluorophenyl)ethanone |
| InChI Key | ZTLLHQUYOLPVAR-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
7-Hydroxy-3,7-dimethyloctanal, MP Biomedicals
CAS: 107-75-5 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 InChI Key: WPFVBOQKRVRMJB-UHFFFAOYSA-N Synonym: hydroxycitronellal,7-hydroxycitronellal,citronellal hydrate,3,7-dimethyl-7-hydroxyoctanal,phixia,cyclalia,cyclosia,laurine,fixol,lilyl aldehyde PubChem CID: 7888 ChEBI: CHEBI:53459 IUPAC Name: 7-hydroxy-3,7-dimethyloctanal SMILES: CC(CCCC(C)(C)O)CC=O
| PubChem CID | 7888 |
|---|---|
| CAS | 107-75-5 |
| Molecular Weight (g/mol) | 172.268 |
| ChEBI | CHEBI:53459 |
| SMILES | CC(CCCC(C)(C)O)CC=O |
| Synonym | hydroxycitronellal,7-hydroxycitronellal,citronellal hydrate,3,7-dimethyl-7-hydroxyoctanal,phixia,cyclalia,cyclosia,laurine,fixol,lilyl aldehyde |
| IUPAC Name | 7-hydroxy-3,7-dimethyloctanal |
| InChI Key | WPFVBOQKRVRMJB-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
Pinacol, 99%
CAS: 76-09-5 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00004462 InChI Key: IVDFJHOHABJVEH-UHFFFAOYSA-N Synonym: pinacol,2,3-dimethyl-2,3-butanediol,pinacone,2,3-butanediol, 2,3-dimethyl,tetramethylethylene glycol,1,1,2,2-tetramethylethylene glycol,unii-527qe7i5co,2,3-dimethyl-butane-2,3-diol,2,3-dihydroxy-2,3-dimethylbutane,2,3-dimethyl-2,3-dihydroxybutane PubChem CID: 6425 IUPAC Name: 2,3-dimethylbutane-2,3-diol SMILES: CC(C)(C(C)(C)O)O
| PubChem CID | 6425 |
|---|---|
| CAS | 76-09-5 |
| Molecular Weight (g/mol) | 118.18 |
| MDL Number | MFCD00004462 |
| SMILES | CC(C)(C(C)(C)O)O |
| Synonym | pinacol,2,3-dimethyl-2,3-butanediol,pinacone,2,3-butanediol, 2,3-dimethyl,tetramethylethylene glycol,1,1,2,2-tetramethylethylene glycol,unii-527qe7i5co,2,3-dimethyl-butane-2,3-diol,2,3-dihydroxy-2,3-dimethylbutane,2,3-dimethyl-2,3-dihydroxybutane |
| IUPAC Name | 2,3-dimethylbutane-2,3-diol |
| InChI Key | IVDFJHOHABJVEH-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
4-(1,3-Dioxolan-2-yl)benzonitrile, 97%, Thermo Scientific™
CAS: 66739-89-7 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00052570 InChI Key: AQXQCWAXQJVTKU-UHFFFAOYSA-N PubChem CID: 2778428 IUPAC Name: 4-(1,3-dioxolan-2-yl)benzonitrile SMILES: N#CC1=CC=C(C=C1)C1OCCO1
| PubChem CID | 2778428 |
|---|---|
| CAS | 66739-89-7 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00052570 |
| SMILES | N#CC1=CC=C(C=C1)C1OCCO1 |
| IUPAC Name | 4-(1,3-dioxolan-2-yl)benzonitrile |
| InChI Key | AQXQCWAXQJVTKU-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
2-(Boc-amino)pyridine-5-carboxaldehyde, 97%, Thermo Scientific Chemicals
CAS: 199296-40-7 Molecular Formula: C11H14N2O3 Molecular Weight (g/mol): 222.244 MDL Number: MFCD08064228 InChI Key: WZROBBWIJBBWQP-UHFFFAOYSA-N Synonym: tert-butyl 5-formylpyridin-2-yl carbamate,tert-butyl 5-formylpyridin-2-ylcarbamate,tert-butyl n-5-formylpyridin-2-yl carbamate,2-boc-amino pyridine-5-carboxaldehyde,5-formyl-pyridin-2-yl-carbamic acid tert-butyl ester,5-formylpyridin-2-yl carbamic acid tert butyl ester,2-boc-aminopyridine-5-aldehyde,2-tert-butoxycarbonylamino pyridine-5-carboxaldehyde,carbamicacid, n-5-formyl-2-pyridinyl-, 1,1-dimethylethyl ester,6-aminonicotinaldehyde, 6-boc protected PubChem CID: 22034247 IUPAC Name: tert-butyl N-(5-formylpyridin-2-yl)carbamate SMILES: CC(C)(C)OC(=O)NC1=NC=C(C=C1)C=O
| PubChem CID | 22034247 |
|---|---|
| CAS | 199296-40-7 |
| Molecular Weight (g/mol) | 222.244 |
| MDL Number | MFCD08064228 |
| SMILES | CC(C)(C)OC(=O)NC1=NC=C(C=C1)C=O |
| Synonym | tert-butyl 5-formylpyridin-2-yl carbamate,tert-butyl 5-formylpyridin-2-ylcarbamate,tert-butyl n-5-formylpyridin-2-yl carbamate,2-boc-amino pyridine-5-carboxaldehyde,5-formyl-pyridin-2-yl-carbamic acid tert-butyl ester,5-formylpyridin-2-yl carbamic acid tert butyl ester,2-boc-aminopyridine-5-aldehyde,2-tert-butoxycarbonylamino pyridine-5-carboxaldehyde,carbamicacid, n-5-formyl-2-pyridinyl-, 1,1-dimethylethyl ester,6-aminonicotinaldehyde, 6-boc protected |
| IUPAC Name | tert-butyl N-(5-formylpyridin-2-yl)carbamate |
| InChI Key | WZROBBWIJBBWQP-UHFFFAOYSA-N |
| Molecular Formula | C11H14N2O3 |
2-Ethoxypyridine-3-carboxaldehyde, 97%
CAS: 885278-07-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD06804559 InChI Key: WHEFRNNNELKVRQ-UHFFFAOYSA-N Synonym: 2-ethoxynicotinaldehyde,2-ethoxypyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-ethoxy,2-ethoxy-3-pyridinecarboxaldehyde,acmc-20ac3a,2-ethoxy-pyridine-3-carbaldehyde PubChem CID: 25067327 IUPAC Name: 2-ethoxypyridine-3-carbaldehyde SMILES: CCOC1=C(C=O)C=CC=N1
| PubChem CID | 25067327 |
|---|---|
| CAS | 885278-07-9 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD06804559 |
| SMILES | CCOC1=C(C=O)C=CC=N1 |
| Synonym | 2-ethoxynicotinaldehyde,2-ethoxypyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-ethoxy,2-ethoxy-3-pyridinecarboxaldehyde,acmc-20ac3a,2-ethoxy-pyridine-3-carbaldehyde |
| IUPAC Name | 2-ethoxypyridine-3-carbaldehyde |
| InChI Key | WHEFRNNNELKVRQ-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
3-Aminopyridine-4-carboxaldehyde, 95%, Thermo Scientific Chemicals
CAS: 55279-29-3 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.13 MDL Number: MFCD06410684 InChI Key: NDEGFXFYOKVWAK-UHFFFAOYSA-N Synonym: 3-aminoisonicotinaldehyde,3-aminopyridine-4-carboxaldehyde,3-amino-pyridine-4-carbaldehyde,3-amino-4-pyridinecarboxaldehyde,3-amino-4-formylpyridine,3-amino-4-carboxaldehyde,4-pyridinecarboxaldehyde, 3-amino,acmc-1b1xn,3-amino-4-pyridine carboxaldehyde,4-pyridinecarboxaldehyde,3-amino PubChem CID: 2763001 IUPAC Name: 3-aminopyridine-4-carbaldehyde SMILES: NC1=CN=CC=C1C=O
| PubChem CID | 2763001 |
|---|---|
| CAS | 55279-29-3 |
| Molecular Weight (g/mol) | 122.13 |
| MDL Number | MFCD06410684 |
| SMILES | NC1=CN=CC=C1C=O |
| Synonym | 3-aminoisonicotinaldehyde,3-aminopyridine-4-carboxaldehyde,3-amino-pyridine-4-carbaldehyde,3-amino-4-pyridinecarboxaldehyde,3-amino-4-formylpyridine,3-amino-4-carboxaldehyde,4-pyridinecarboxaldehyde, 3-amino,acmc-1b1xn,3-amino-4-pyridine carboxaldehyde,4-pyridinecarboxaldehyde,3-amino |
| IUPAC Name | 3-aminopyridine-4-carbaldehyde |
| InChI Key | NDEGFXFYOKVWAK-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O |
Acetoacetamide, 97%
CAS: 5977-14-0 InChI Key: GCPWJFKTWGFEHH-UHFFFAOYSA-N Synonym: acetoacetamide,acetylacetamide,acetoacetic acid amide,butanamide, 3-oxo,3-oxobutanamid,unii-6o9u7cfy0t,6o9u7cfy0t,3-oxobutyramide,acmc-20alv9 PubChem CID: 80077 ChEBI: CHEBI:28515 IUPAC Name: 3-oxobutanamide SMILES: CC(=O)CC(=O)N
| PubChem CID | 80077 |
|---|---|
| CAS | 5977-14-0 |
| ChEBI | CHEBI:28515 |
| SMILES | CC(=O)CC(=O)N |
| Synonym | acetoacetamide,acetylacetamide,acetoacetic acid amide,butanamide, 3-oxo,3-oxobutanamid,unii-6o9u7cfy0t,6o9u7cfy0t,3-oxobutyramide,acmc-20alv9 |
| IUPAC Name | 3-oxobutanamide |
| InChI Key | GCPWJFKTWGFEHH-UHFFFAOYSA-N |
Cafestol
CAS: 469-83-0 Molecular Formula: C20H28O3 Molecular Weight (g/mol): 316.44 MDL Number: MFCD01075769 InChI Key: DNJVYWXIDISQRD-HWUKTEKMSA-N Synonym: cafestol,cafesterol,ccris 1518,unii-ac465t6q6w,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs,5as,7r,8r,10ar,10bs,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs-3balpha,5abeta,7beta,8beta,10aalpha,10bbeta,--cafestol,1s,4s,12s,13r,16r,17r-17-hydroxymethyl-12-methyl-8-oxapentacyclo 14.2.1.0 1,13 .0 4,12 .0 5,9 nonadeca-5 9 ,6-dien-17-ol,3bs,5as,7r,8r,10ar,10bs-7-hydroxymethyl-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta 5,6 naphtho 2,1-b furan-7-ol PubChem CID: 108052 ChEBI: CHEBI:3291 IUPAC Name: (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol SMILES: C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3
| PubChem CID | 108052 |
|---|---|
| CAS | 469-83-0 |
| Molecular Weight (g/mol) | 316.44 |
| ChEBI | CHEBI:3291 |
| MDL Number | MFCD01075769 |
| SMILES | C[C@@]12CCC3=C(C=CO3)[C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CO)C3 |
| Synonym | cafestol,cafesterol,ccris 1518,unii-ac465t6q6w,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs,5as,7r,8r,10ar,10bs,5a,8-methano-5ah-cyclohepta 5,6 naphtho 2,1-b furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, 3bs-3balpha,5abeta,7beta,8beta,10aalpha,10bbeta,--cafestol,1s,4s,12s,13r,16r,17r-17-hydroxymethyl-12-methyl-8-oxapentacyclo 14.2.1.0 1,13 .0 4,12 .0 5,9 nonadeca-5 9 ,6-dien-17-ol,3bs,5as,7r,8r,10ar,10bs-7-hydroxymethyl-10b-methyl-3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-5a,8-methanocyclohepta 5,6 naphtho 2,1-b furan-7-ol |
| IUPAC Name | (1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁵,⁹]nonadeca-5(9),6-dien-17-ol |
| InChI Key | DNJVYWXIDISQRD-HWUKTEKMSA-N |
| Molecular Formula | C20H28O3 |
Gossypol-acetic acid
CAS: 12542-36-8 Molecular Formula: C32H34O10 Molecular Weight (g/mol): 578.614 MDL Number: MFCD00058385 InChI Key: NIOHNDKHQHVLKA-UHFFFAOYSA-N Synonym: gossypol-acetic acid,gossypol acetate,gossypol acetic acid,acetate gossypol,--gossypol acetic acid,s-gossypol acetic acid,at-101 acetic acid,gossypol-acetic acid complex PubChem CID: 227456 IUPAC Name: acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde SMILES: CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C.CC(=O)O
| PubChem CID | 227456 |
|---|---|
| CAS | 12542-36-8 |
| Molecular Weight (g/mol) | 578.614 |
| MDL Number | MFCD00058385 |
| SMILES | CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C.CC(=O)O |
| Synonym | gossypol-acetic acid,gossypol acetate,gossypol acetic acid,acetate gossypol,--gossypol acetic acid,s-gossypol acetic acid,at-101 acetic acid,gossypol-acetic acid complex |
| IUPAC Name | acetic acid;7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde |
| InChI Key | NIOHNDKHQHVLKA-UHFFFAOYSA-N |
| Molecular Formula | C32H34O10 |
(S)-(-)-2-Phenyl-1-propanol, 98+%
CAS: 37778-99-7 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00145249 InChI Key: RNDNSYIPLPAXAZ-MRVPVSSYSA-N Synonym: s-2-phenylpropan-1-ol,s---2-phenyl-1-propanol,--2-phenylpropanol,s-2-phenyl-1-propanol,2s-2-phenylpropan-1-ol,unii-w7q89429zo,2 s-phenyl-1-propanol,--2-phenyl-1-propanol,--beta-methylbenzeneethanol PubChem CID: 447661 IUPAC Name: (2S)-2-phenylpropan-1-ol SMILES: CC(CO)C1=CC=CC=C1
| PubChem CID | 447661 |
|---|---|
| CAS | 37778-99-7 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00145249 |
| SMILES | CC(CO)C1=CC=CC=C1 |
| Synonym | s-2-phenylpropan-1-ol,s---2-phenyl-1-propanol,--2-phenylpropanol,s-2-phenyl-1-propanol,2s-2-phenylpropan-1-ol,unii-w7q89429zo,2 s-phenyl-1-propanol,--2-phenyl-1-propanol,--beta-methylbenzeneethanol |
| IUPAC Name | (2S)-2-phenylpropan-1-ol |
| InChI Key | RNDNSYIPLPAXAZ-MRVPVSSYSA-N |
| Molecular Formula | C9H12O |
5-Chloro-1-pentanol, 95%
CAS: 5259-98-3 Molecular Formula: C5H11ClO Molecular Weight (g/mol): 122.59 MDL Number: MFCD00039556 InChI Key: DCBJCKDOZLTTDW-UHFFFAOYSA-N Synonym: 5-chloro-1-pentanol,5-chloropentanol,pentamethylene chlorohydrin,1-pentanol, 5-chloro,1-chloro-5-hydroxypentane,unii-55vp4w35eg,1-chloro-5-pentanol,5-chloropentane-1-ol,acmc-1amb4,ksc272o9l PubChem CID: 78915 IUPAC Name: 5-chloropentan-1-ol SMILES: OCCCCCCl
| PubChem CID | 78915 |
|---|---|
| CAS | 5259-98-3 |
| Molecular Weight (g/mol) | 122.59 |
| MDL Number | MFCD00039556 |
| SMILES | OCCCCCCl |
| Synonym | 5-chloro-1-pentanol,5-chloropentanol,pentamethylene chlorohydrin,1-pentanol, 5-chloro,1-chloro-5-hydroxypentane,unii-55vp4w35eg,1-chloro-5-pentanol,5-chloropentane-1-ol,acmc-1amb4,ksc272o9l |
| IUPAC Name | 5-chloropentan-1-ol |
| InChI Key | DCBJCKDOZLTTDW-UHFFFAOYSA-N |
| Molecular Formula | C5H11ClO |