Organooxygen compounds
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3-(Methylthio)butyraldehyde, 95%
CAS: 16630-52-7 Molecular Formula: C5H10OS Molecular Weight (g/mol): 118.19 MDL Number: MFCD00036622 InChI Key: NCBDFIPMWRKPDU-UHFFFAOYNA-N Synonym: 3-methylthio butanal,3-methylthio butyraldehyde,butanal, 3-methylthio,3-methylsulfanyl butanal,beta-methylthio butyraldehyde,fema no. 3374,butyraldehyde, 3-methylthio,potato butyraldehyde,3-methylthiobutyraldehyde,butanal,3-methylthio PubChem CID: 61845 IUPAC Name: 3-methylsulfanylbutanal SMILES: CSC(C)CC=O
| PubChem CID | 61845 |
|---|---|
| CAS | 16630-52-7 |
| Molecular Weight (g/mol) | 118.19 |
| MDL Number | MFCD00036622 |
| SMILES | CSC(C)CC=O |
| Synonym | 3-methylthio butanal,3-methylthio butyraldehyde,butanal, 3-methylthio,3-methylsulfanyl butanal,beta-methylthio butyraldehyde,fema no. 3374,butyraldehyde, 3-methylthio,potato butyraldehyde,3-methylthiobutyraldehyde,butanal,3-methylthio |
| IUPAC Name | 3-methylsulfanylbutanal |
| InChI Key | NCBDFIPMWRKPDU-UHFFFAOYNA-N |
| Molecular Formula | C5H10OS |
N-Phenacylpyridinium bromide, 97%, Thermo Scientific™
CAS: 16883-69-5 Molecular Formula: C13H12BrNO Molecular Weight (g/mol): 278.15 InChI Key: PXSUMUYPXZEXDT-UHFFFAOYSA-M Synonym: 1-phenacylpyridinium bromide,1-2-oxo-2-phenylethyl pyridin-1-ium bromide,n-phenacylpyridinium bromide,1-phenacylpyridiniumbromide,1-acetophenonepyridinium bromide,1-2-oxo-2-phenylethyl pyridinium bromide,1-2-oxo-2-phenyl-ethyl-pyridinium, bromide,phenacylpyridinium bromide,acmc-1c6a6,1-phenacyl-pyridinium bromide PubChem CID: 2798954 IUPAC Name: 1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide SMILES: C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-]
| PubChem CID | 2798954 |
|---|---|
| CAS | 16883-69-5 |
| Molecular Weight (g/mol) | 278.15 |
| SMILES | C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-] |
| Synonym | 1-phenacylpyridinium bromide,1-2-oxo-2-phenylethyl pyridin-1-ium bromide,n-phenacylpyridinium bromide,1-phenacylpyridiniumbromide,1-acetophenonepyridinium bromide,1-2-oxo-2-phenylethyl pyridinium bromide,1-2-oxo-2-phenyl-ethyl-pyridinium, bromide,phenacylpyridinium bromide,acmc-1c6a6,1-phenacyl-pyridinium bromide |
| IUPAC Name | 1-phenyl-2-pyridin-1-ium-1-ylethanone;bromide |
| InChI Key | PXSUMUYPXZEXDT-UHFFFAOYSA-M |
| Molecular Formula | C13H12BrNO |
4-(2-Aminoethyl)morpholine, 98+%
CAS: 2038-03-1 Molecular Formula: C6H14N2O Molecular Weight (g/mol): 130.19 MDL Number: MFCD00006182 InChI Key: RWIVICVCHVMHMU-UHFFFAOYSA-N Synonym: 4-2-aminoethyl morpholine,2-morpholinoethanamine,4-morpholineethanamine,2-morpholinoethylamine,n-aminoethylmorpholine,2-morpholin-4-yl ethan-1-amine,morpholine, 4-2-aminoethyl,n-2-aminoethyl morpholine,n-2-aminoethylmorpholine,2-morpholin-4-ylethylamine PubChem CID: 408285 IUPAC Name: 2-morpholin-4-ylethanamine SMILES: C1COCCN1CCN
| PubChem CID | 408285 |
|---|---|
| CAS | 2038-03-1 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00006182 |
| SMILES | C1COCCN1CCN |
| Synonym | 4-2-aminoethyl morpholine,2-morpholinoethanamine,4-morpholineethanamine,2-morpholinoethylamine,n-aminoethylmorpholine,2-morpholin-4-yl ethan-1-amine,morpholine, 4-2-aminoethyl,n-2-aminoethyl morpholine,n-2-aminoethylmorpholine,2-morpholin-4-ylethylamine |
| IUPAC Name | 2-morpholin-4-ylethanamine |
| InChI Key | RWIVICVCHVMHMU-UHFFFAOYSA-N |
| Molecular Formula | C6H14N2O |
Ethyl methoxyacetate, 98%
CAS: 3938-96-3 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00009176 InChI Key: JLEKJZUYWFJPMB-UHFFFAOYSA-N Synonym: ethyl methoxyacetate,acetic acid, methoxy-, ethyl ester,2-methoxy ethyl acetate,ethyl-3-oxabutanoate,methoxyacetic acid ethyl ester,methoxy acetic acid ethyl ester,ethyl-metoxyacetate,methylglycol acetate,ethyl methyloxy acetate,acmc-1cofg PubChem CID: 77544 IUPAC Name: ethyl 2-methoxyacetate SMILES: CCOC(=O)COC
| PubChem CID | 77544 |
|---|---|
| CAS | 3938-96-3 |
| Molecular Weight (g/mol) | 118.132 |
| MDL Number | MFCD00009176 |
| SMILES | CCOC(=O)COC |
| Synonym | ethyl methoxyacetate,acetic acid, methoxy-, ethyl ester,2-methoxy ethyl acetate,ethyl-3-oxabutanoate,methoxyacetic acid ethyl ester,methoxy acetic acid ethyl ester,ethyl-metoxyacetate,methylglycol acetate,ethyl methyloxy acetate,acmc-1cofg |
| IUPAC Name | ethyl 2-methoxyacetate |
| InChI Key | JLEKJZUYWFJPMB-UHFFFAOYSA-N |
| Molecular Formula | C5H10O3 |
Ethyl malonyl chloride, 95%
CAS: 36239-09-5 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000736 InChI Key: KWFADUNOPOSMIJ-UHFFFAOYSA-N Synonym: ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester PubChem CID: 118931 IUPAC Name: ethyl 3-chloro-3-oxopropanoate SMILES: CCOC(=O)CC(Cl)=O
| PubChem CID | 118931 |
|---|---|
| CAS | 36239-09-5 |
| Molecular Weight (g/mol) | 150.56 |
| MDL Number | MFCD00000736 |
| SMILES | CCOC(=O)CC(Cl)=O |
| Synonym | ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester |
| IUPAC Name | ethyl 3-chloro-3-oxopropanoate |
| InChI Key | KWFADUNOPOSMIJ-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
4'-Hydroxy-3'-methylacetophenone, 98%
CAS: 876-02-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00002231 InChI Key: LXBHHIZIQVZGFN-UHFFFAOYSA-N Synonym: 4'-hydroxy-3'-methylacetophenone,4-hydroxy-3-methylacetophenone,1-4-hydroxy-3-methylphenyl ethanone,1-4-hydroxy-3-methylphenyl ethan-1-one,4-acetyl-2-methylphenol,ethanone, 1-4-hydroxy-3-methylphenyl,4-hydroxy-3-methyl acetophenone,1-4-hydroxy-3-methyl-phenyl-ethanone,1-acetyl-4-hydroxy-3-methylbenzene PubChem CID: 70135 SMILES: CC(=O)C1=CC=C(O)C(C)=C1
| PubChem CID | 70135 |
|---|---|
| CAS | 876-02-8 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00002231 |
| SMILES | CC(=O)C1=CC=C(O)C(C)=C1 |
| Synonym | 4'-hydroxy-3'-methylacetophenone,4-hydroxy-3-methylacetophenone,1-4-hydroxy-3-methylphenyl ethanone,1-4-hydroxy-3-methylphenyl ethan-1-one,4-acetyl-2-methylphenol,ethanone, 1-4-hydroxy-3-methylphenyl,4-hydroxy-3-methyl acetophenone,1-4-hydroxy-3-methyl-phenyl-ethanone,1-acetyl-4-hydroxy-3-methylbenzene |
| InChI Key | LXBHHIZIQVZGFN-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
4-(2-Hydroxyethyl)pyridine, 98%
CAS: 5344-27-4 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00129038 InChI Key: DWPYQDGDWBKJQL-UHFFFAOYSA-N Synonym: 4-pyridineethanol,2-pyridin-4-yl ethanol,4-2-hydroxyethyl pyridine,4-ethanolpyridine,2-4-pyridyl ethanol,2-pyridin-4-yl ethan-1-ol,2-pyridin-4-yl-ethanol,2-gamma-pyridyl ethanol,unii-i89rdq5yd9 PubChem CID: 72921 IUPAC Name: 2-pyridin-4-ylethanol SMILES: C1=CN=CC=C1CCO
| PubChem CID | 72921 |
|---|---|
| CAS | 5344-27-4 |
| Molecular Weight (g/mol) | 123.155 |
| MDL Number | MFCD00129038 |
| SMILES | C1=CN=CC=C1CCO |
| Synonym | 4-pyridineethanol,2-pyridin-4-yl ethanol,4-2-hydroxyethyl pyridine,4-ethanolpyridine,2-4-pyridyl ethanol,2-pyridin-4-yl ethan-1-ol,2-pyridin-4-yl-ethanol,2-gamma-pyridyl ethanol,unii-i89rdq5yd9 |
| IUPAC Name | 2-pyridin-4-ylethanol |
| InChI Key | DWPYQDGDWBKJQL-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
(R)-(-)-2-Methyl-2,4-pentanediol, 98+%
CAS: 99210-90-9 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00064275 InChI Key: SVTBMSDMJJWYQN-UHFFFAOYNA-N Synonym: 4r-2-methylpentane-2,4-diol,r---2-methyl-2,4-pentanediol,mrd,2-methylpentan-2,4-diol,r-2-methyl-2,4-pentanediol,1hty,r-mpd,4-methyl-2,4-pentanediole,r---2-methyl-2,4-pentandiol,.+/-.-2-methyl-2,4-pentanediol PubChem CID: 5288845 IUPAC Name: (4R)-2-methylpentane-2,4-diol SMILES: CC(O)CC(C)(C)O
| PubChem CID | 5288845 |
|---|---|
| CAS | 99210-90-9 |
| Molecular Weight (g/mol) | 118.18 |
| MDL Number | MFCD00064275 |
| SMILES | CC(O)CC(C)(C)O |
| Synonym | 4r-2-methylpentane-2,4-diol,r---2-methyl-2,4-pentanediol,mrd,2-methylpentan-2,4-diol,r-2-methyl-2,4-pentanediol,1hty,r-mpd,4-methyl-2,4-pentanediole,r---2-methyl-2,4-pentandiol,.+/-.-2-methyl-2,4-pentanediol |
| IUPAC Name | (4R)-2-methylpentane-2,4-diol |
| InChI Key | SVTBMSDMJJWYQN-UHFFFAOYNA-N |
| Molecular Formula | C6H14O2 |
Triethylene glycol dimethyl ether, 99%
CAS: 112-49-2 Molecular Formula: C8H18O4 Molecular Weight (g/mol): 178.228 MDL Number: MFCD00008504 InChI Key: YFNKIDBQEZZDLK-UHFFFAOYSA-N Synonym: triglyme,triethylene glycol dimethyl ether,2,5,8,11-tetraoxadodecane,1,2-bis 2-methoxyethoxy ethane,glyme 4,ansul ether 161,glyme-3,tegdime,tegdme,unii-32yxg88kk0 PubChem CID: 8189 ChEBI: CHEBI:44842 IUPAC Name: 1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane SMILES: COCCOCCOCCOC
| PubChem CID | 8189 |
|---|---|
| CAS | 112-49-2 |
| Molecular Weight (g/mol) | 178.228 |
| ChEBI | CHEBI:44842 |
| MDL Number | MFCD00008504 |
| SMILES | COCCOCCOCCOC |
| Synonym | triglyme,triethylene glycol dimethyl ether,2,5,8,11-tetraoxadodecane,1,2-bis 2-methoxyethoxy ethane,glyme 4,ansul ether 161,glyme-3,tegdime,tegdme,unii-32yxg88kk0 |
| IUPAC Name | 1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane |
| InChI Key | YFNKIDBQEZZDLK-UHFFFAOYSA-N |
| Molecular Formula | C8H18O4 |
5-Fluoroindole-3-carboxaldehyde, 98%
CAS: 2338-71-8 Molecular Formula: C9H6FNO Molecular Weight (g/mol): 163.15 MDL Number: MFCD00022719 InChI Key: YUAJKGBLPVLADK-UHFFFAOYSA-N Synonym: 5-fluoroindole-3-carboxaldehyde,5-fluoro-1h-indole-3-carboxaldehyde,5-fluoroindole-3-carbaldehyde,1h-indole-3-carboxaldehyde, 5-fluoro,3-formyl-5-fluoroindole,pubchem7267,zlchem 1197,5-fluoro-3-formylindole,5-fluoroindole-3-aldehyde,acmc-209g2v PubChem CID: 259089 IUPAC Name: 5-fluoro-1H-indole-3-carbaldehyde SMILES: FC1=CC=C2NC=C(C=O)C2=C1
| PubChem CID | 259089 |
|---|---|
| CAS | 2338-71-8 |
| Molecular Weight (g/mol) | 163.15 |
| MDL Number | MFCD00022719 |
| SMILES | FC1=CC=C2NC=C(C=O)C2=C1 |
| Synonym | 5-fluoroindole-3-carboxaldehyde,5-fluoro-1h-indole-3-carboxaldehyde,5-fluoroindole-3-carbaldehyde,1h-indole-3-carboxaldehyde, 5-fluoro,3-formyl-5-fluoroindole,pubchem7267,zlchem 1197,5-fluoro-3-formylindole,5-fluoroindole-3-aldehyde,acmc-209g2v |
| IUPAC Name | 5-fluoro-1H-indole-3-carbaldehyde |
| InChI Key | YUAJKGBLPVLADK-UHFFFAOYSA-N |
| Molecular Formula | C9H6FNO |
Crotonaldehyde, predominantly trans, 98+%
CAS: 4170-30-3 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.091 MDL Number: MFCD00007003 InChI Key: MLUCVPSAIODCQM-NSCUHMNNSA-N Synonym: crotonaldehyde,2-butenal,crotylaldehyde,crotonal,2e-but-2-enal,trans-crotonaldehyde,e-crotonaldehyde,crotonic aldehyde,1-formylpropene,trans-2-butenal PubChem CID: 447466 ChEBI: CHEBI:41607 IUPAC Name: (E)-but-2-enal SMILES: CC=CC=O
| PubChem CID | 447466 |
|---|---|
| CAS | 4170-30-3 |
| Molecular Weight (g/mol) | 70.091 |
| ChEBI | CHEBI:41607 |
| MDL Number | MFCD00007003 |
| SMILES | CC=CC=O |
| Synonym | crotonaldehyde,2-butenal,crotylaldehyde,crotonal,2e-but-2-enal,trans-crotonaldehyde,e-crotonaldehyde,crotonic aldehyde,1-formylpropene,trans-2-butenal |
| IUPAC Name | (E)-but-2-enal |
| InChI Key | MLUCVPSAIODCQM-NSCUHMNNSA-N |
| Molecular Formula | C4H6O |
Phenylacetaldehyde dimethyl acetal, 98%, Thermo Scientific™
CAS: 101-48-4 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00008487 InChI Key: WNJSKZBEWNVKGU-UHFFFAOYSA-N Synonym: 2,2-dimethoxyethyl benzene,phenylacetaldehyde dimethyl acetal,viridine,hyscylene p,1,1-dimethoxy-2-phenylethane,benzene, 2,2-dimethoxyethyl,phenacetaldehyde dimethyl acetal,padma,2,2-dimethoxy-1-phenylethane,phenylacetic aldehyde dimethyl acetal PubChem CID: 60995 IUPAC Name: 2,2-dimethoxyethylbenzene SMILES: COC(CC1=CC=CC=C1)OC
| PubChem CID | 60995 |
|---|---|
| CAS | 101-48-4 |
| Molecular Weight (g/mol) | 166.22 |
| MDL Number | MFCD00008487 |
| SMILES | COC(CC1=CC=CC=C1)OC |
| Synonym | 2,2-dimethoxyethyl benzene,phenylacetaldehyde dimethyl acetal,viridine,hyscylene p,1,1-dimethoxy-2-phenylethane,benzene, 2,2-dimethoxyethyl,phenacetaldehyde dimethyl acetal,padma,2,2-dimethoxy-1-phenylethane,phenylacetic aldehyde dimethyl acetal |
| IUPAC Name | 2,2-dimethoxyethylbenzene |
| InChI Key | WNJSKZBEWNVKGU-UHFFFAOYSA-N |
1,1,1-Tris(hydroxymethyl)ethane, 97%
CAS: 77-85-0 Molecular Formula: C5H12O3 Molecular Weight (g/mol): 120.15 MDL Number: MFCD00004687 InChI Key: QXJQHYBHAIHNGG-UHFFFAOYSA-N Synonym: trimethylolethane,1,1,1-tris hydroxymethyl ethane,trimet,methriol,metriol,pentaglycerine,pentaglycerol,methyltrimethanolmethane,2-hydroxymethyl-2-methylpropane-1,3-diol,tris hydroxymethyl ethane PubChem CID: 6502 IUPAC Name: 2-(hydroxymethyl)-2-methylpropane-1,3-diol SMILES: CC(CO)(CO)CO
| PubChem CID | 6502 |
|---|---|
| CAS | 77-85-0 |
| Molecular Weight (g/mol) | 120.15 |
| MDL Number | MFCD00004687 |
| SMILES | CC(CO)(CO)CO |
| Synonym | trimethylolethane,1,1,1-tris hydroxymethyl ethane,trimet,methriol,metriol,pentaglycerine,pentaglycerol,methyltrimethanolmethane,2-hydroxymethyl-2-methylpropane-1,3-diol,tris hydroxymethyl ethane |
| IUPAC Name | 2-(hydroxymethyl)-2-methylpropane-1,3-diol |
| InChI Key | QXJQHYBHAIHNGG-UHFFFAOYSA-N |
| Molecular Formula | C5H12O3 |
Cyclobutanol, 99+%
CAS: 2919-23-5 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00001318 InChI Key: KTHXBEHDVMTNOH-UHFFFAOYSA-N Synonym: cyclobutyl alcohol,cyclobutyl hydroxide,hydroxycyclobutane,acmc-1cgim,cyclobutanol,cyclobutanol 1g,ksc206s6t,kthxbehdvmtnoh-uhfffaoysa PubChem CID: 76218 IUPAC Name: cyclobutanol SMILES: OC1CCC1
| PubChem CID | 76218 |
|---|---|
| CAS | 2919-23-5 |
| Molecular Weight (g/mol) | 72.11 |
| MDL Number | MFCD00001318 |
| SMILES | OC1CCC1 |
| Synonym | cyclobutyl alcohol,cyclobutyl hydroxide,hydroxycyclobutane,acmc-1cgim,cyclobutanol,cyclobutanol 1g,ksc206s6t,kthxbehdvmtnoh-uhfffaoysa |
| IUPAC Name | cyclobutanol |
| InChI Key | KTHXBEHDVMTNOH-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
2-Formylbenzenesulfonic acid, sodium salt, 90%, tech.
CAS: 1008-72-6 Molecular Formula: C7H5NaO4S Molecular Weight (g/mol): 208.16 MDL Number: MFCD00007478 InChI Key: ADPUQRRLAAPXGT-UHFFFAOYSA-M Synonym: sodium 2-formylbenzenesulfonate,2-formylbenzenesulfonic acid sodium salt,sodium o-formylbenzenesulfonate,benzenesulfonic acid, 2-formyl-, sodium salt,unii-lh8xh59068,2-sulfobenzaldehyde sodium salt,sodium benzaldehyde-2-sulfonate,benzaldehyde-2-sulfonic acid sodium salt,o-formylbenzenesulfonic acid sodium salt,sodium 2-formylbenzene-1-sulfonate PubChem CID: 3794540 IUPAC Name: sodium;2-formylbenzenesulfonate SMILES: [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O
| PubChem CID | 3794540 |
|---|---|
| CAS | 1008-72-6 |
| Molecular Weight (g/mol) | 208.16 |
| MDL Number | MFCD00007478 |
| SMILES | [Na+].[O-]S(=O)(=O)C1=CC=CC=C1C=O |
| Synonym | sodium 2-formylbenzenesulfonate,2-formylbenzenesulfonic acid sodium salt,sodium o-formylbenzenesulfonate,benzenesulfonic acid, 2-formyl-, sodium salt,unii-lh8xh59068,2-sulfobenzaldehyde sodium salt,sodium benzaldehyde-2-sulfonate,benzaldehyde-2-sulfonic acid sodium salt,o-formylbenzenesulfonic acid sodium salt,sodium 2-formylbenzene-1-sulfonate |
| IUPAC Name | sodium;2-formylbenzenesulfonate |
| InChI Key | ADPUQRRLAAPXGT-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO4S |