Organooxygen compounds
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2-Ethylhexanal 95.0+%, TCI America™
CAS: 123-05-7 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00006987 InChI Key: LGYNIFWIKSEESD-UHFFFAOYSA-N Synonym: hexanal, 2-ethyl,2-ethylhexaldehyde,2-ethylhexylaldehyde,3-formylheptane,2-ethylcaproaldehyde,butylethylacetaldehyde,ethylbutylacetaldehyde,ethylhexaldehyde,alpha-ethylcaproaldehyde,butyl ethyl acetaldehyde PubChem CID: 31241 IUPAC Name: 2-ethylhexanal SMILES: CCCCC(CC)C=O
| PubChem CID | 31241 |
|---|---|
| CAS | 123-05-7 |
| Molecular Weight (g/mol) | 128.215 |
| MDL Number | MFCD00006987 |
| SMILES | CCCCC(CC)C=O |
| Synonym | hexanal, 2-ethyl,2-ethylhexaldehyde,2-ethylhexylaldehyde,3-formylheptane,2-ethylcaproaldehyde,butylethylacetaldehyde,ethylbutylacetaldehyde,ethylhexaldehyde,alpha-ethylcaproaldehyde,butyl ethyl acetaldehyde |
| IUPAC Name | 2-ethylhexanal |
| InChI Key | LGYNIFWIKSEESD-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
3-Ethyl-3-pentanol 99.0+%, TCI America™
CAS: 597-49-9 Molecular Formula: C7H16O Molecular Weight (g/mol): 116.20 MDL Number: MFCD00004484 InChI Key: XKIRHOWVQWCYBT-UHFFFAOYSA-N Synonym: 3-ethyl-3-pentanol,triethylcarbinol,3-pentanol, 3-ethyl,triethylmethanol,triethylmethyl alcohol,tert-heptanol,3-aethyl-pentanol-3,3-aethyl-pentanol-3 german,3-ethyl-3-hydroxypentane,ethyl-3 pentanol-3 PubChem CID: 11702 IUPAC Name: 3-ethylpentan-3-ol SMILES: CCC(O)(CC)CC
| PubChem CID | 11702 |
|---|---|
| CAS | 597-49-9 |
| Molecular Weight (g/mol) | 116.20 |
| MDL Number | MFCD00004484 |
| SMILES | CCC(O)(CC)CC |
| Synonym | 3-ethyl-3-pentanol,triethylcarbinol,3-pentanol, 3-ethyl,triethylmethanol,triethylmethyl alcohol,tert-heptanol,3-aethyl-pentanol-3,3-aethyl-pentanol-3 german,3-ethyl-3-hydroxypentane,ethyl-3 pentanol-3 |
| IUPAC Name | 3-ethylpentan-3-ol |
| InChI Key | XKIRHOWVQWCYBT-UHFFFAOYSA-N |
| Molecular Formula | C7H16O |
3',5'-Dichloro-2,2,2-trifluoroacetophenone 96.0+%, TCI America™
CAS: 130336-16-2 Molecular Formula: C8H3Cl2F3O Molecular Weight (g/mol): 243.006 MDL Number: MFCD01319996 InChI Key: DZDSQRPDUCSOQV-UHFFFAOYSA-N PubChem CID: 2758231 IUPAC Name: 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone SMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)C(F)(F)F
| PubChem CID | 2758231 |
|---|---|
| CAS | 130336-16-2 |
| Molecular Weight (g/mol) | 243.006 |
| MDL Number | MFCD01319996 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)C(=O)C(F)(F)F |
| IUPAC Name | 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone |
| InChI Key | DZDSQRPDUCSOQV-UHFFFAOYSA-N |
| Molecular Formula | C8H3Cl2F3O |
4-Methylmorpholine N-Oxide (50% in Water, ca. 4.8mol/L), TCI America™
CAS: 7529-22-8 Molecular Formula: C5H11NO2 Molecular Weight (g/mol): 117.15 MDL Number: MFCD00005947 InChI Key: LFTLOKWAGJYHHR-UHFFFAOYSA-N Synonym: 4-methylmorpholine n-oxide,4-methylmorpholine 4-oxide,n-methylmorpholine oxide,n-methylmorpholine n-oxide,morpholine, 4-methyl-, 4-oxide,4-methylmorpholine-4-oxide,methyl morpholine oxide,n-methylmorpholine-n-oxide,nmo,unii-arc64pkj0f PubChem CID: 82029 ChEBI: CHEBI:52093 IUPAC Name: 4-methylmorpholin-4-ium-4-olate SMILES: C[N+]1([O-])CCOCC1
| PubChem CID | 82029 |
|---|---|
| CAS | 7529-22-8 |
| Molecular Weight (g/mol) | 117.15 |
| ChEBI | CHEBI:52093 |
| MDL Number | MFCD00005947 |
| SMILES | C[N+]1([O-])CCOCC1 |
| Synonym | 4-methylmorpholine n-oxide,4-methylmorpholine 4-oxide,n-methylmorpholine oxide,n-methylmorpholine n-oxide,morpholine, 4-methyl-, 4-oxide,4-methylmorpholine-4-oxide,methyl morpholine oxide,n-methylmorpholine-n-oxide,nmo,unii-arc64pkj0f |
| IUPAC Name | 4-methylmorpholin-4-ium-4-olate |
| InChI Key | LFTLOKWAGJYHHR-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO2 |
3-(Cyanoacetyl)indole 98.0+%, TCI America™
CAS: 20356-45-0 Molecular Formula: C11H8N2O Molecular Weight (g/mol): 184.198 MDL Number: MFCD04610443 InChI Key: KSKBLDDGNWKWKN-UHFFFAOYSA-N PubChem CID: 2453568 IUPAC Name: 3-(1H-indol-3-yl)-3-oxopropanenitrile SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)CC#N
| PubChem CID | 2453568 |
|---|---|
| CAS | 20356-45-0 |
| Molecular Weight (g/mol) | 184.198 |
| MDL Number | MFCD04610443 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(=O)CC#N |
| IUPAC Name | 3-(1H-indol-3-yl)-3-oxopropanenitrile |
| InChI Key | KSKBLDDGNWKWKN-UHFFFAOYSA-N |
| Molecular Formula | C11H8N2O |
Dipentaerythritol 80.0+%, TCI America™
CAS: 126-58-9 Molecular Formula: C10H22O7 Molecular Weight (g/mol): 254.279 MDL Number: MFCD00004691 InChI Key: TXBCBTDQIULDIA-UHFFFAOYSA-N Synonym: dipentaerythritol,dipentek,2,2'-oxybis methylene bis 2-hydroxymethyl propane-1,3-diol,bis pentaerythritol,1,3-propanediol, 2,2'-oxybis methylene bis 2-hydroxymethyl,2,2,2',2'-tetrakis hydroxymethyl-3,3'-oxydipropan-1-ol,1,3-propanediol, 2,2'-oxybis-methylene,2-3-hydroxy-2,2-bis hydroxymethyl propoxy methyl-2-hydroxymethyl propane-1,3-diol PubChem CID: 31352 IUPAC Name: 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol SMILES: C(C(CO)(CO)COCC(CO)(CO)CO)O
| PubChem CID | 31352 |
|---|---|
| CAS | 126-58-9 |
| Molecular Weight (g/mol) | 254.279 |
| MDL Number | MFCD00004691 |
| SMILES | C(C(CO)(CO)COCC(CO)(CO)CO)O |
| Synonym | dipentaerythritol,dipentek,2,2'-oxybis methylene bis 2-hydroxymethyl propane-1,3-diol,bis pentaerythritol,1,3-propanediol, 2,2'-oxybis methylene bis 2-hydroxymethyl,2,2,2',2'-tetrakis hydroxymethyl-3,3'-oxydipropan-1-ol,1,3-propanediol, 2,2'-oxybis-methylene,2-3-hydroxy-2,2-bis hydroxymethyl propoxy methyl-2-hydroxymethyl propane-1,3-diol |
| IUPAC Name | 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol |
| InChI Key | TXBCBTDQIULDIA-UHFFFAOYSA-N |
| Molecular Formula | C10H22O7 |
3-Methoxycyclohexene 97.0+%, TCI America™
CAS: 2699-13-0 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.172 InChI Key: OKDKFTKUXADLSJ-UHFFFAOYSA-N PubChem CID: 137685 IUPAC Name: 3-methoxycyclohexene SMILES: COC1CCCC=C1
| PubChem CID | 137685 |
|---|---|
| CAS | 2699-13-0 |
| Molecular Weight (g/mol) | 112.172 |
| SMILES | COC1CCCC=C1 |
| IUPAC Name | 3-methoxycyclohexene |
| InChI Key | OKDKFTKUXADLSJ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O |
Dibutyl Malonate 99.0+%, TCI America™
CAS: 1190-39-2 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.28 MDL Number: MFCD00053795 InChI Key: NFKGQHYUYGYHIS-UHFFFAOYSA-N Synonym: Malonic Acid Dibutyl Ester PubChem CID: 136925 IUPAC Name: 1,3-dibutyl propanedioate SMILES: CCCCOC(=O)CC(=O)OCCCC
| PubChem CID | 136925 |
|---|---|
| CAS | 1190-39-2 |
| Molecular Weight (g/mol) | 216.28 |
| MDL Number | MFCD00053795 |
| SMILES | CCCCOC(=O)CC(=O)OCCCC |
| Synonym | Malonic Acid Dibutyl Ester |
| IUPAC Name | 1,3-dibutyl propanedioate |
| InChI Key | NFKGQHYUYGYHIS-UHFFFAOYSA-N |
| Molecular Formula | C11H20O4 |
2-(Chloromethoxy)ethyltrimethylsilane (stabilized with Diisopropylethylamine) 95.0+%, TCI America™
CAS: 76513-69-4 Molecular Formula: C6H15ClOSi Molecular Weight (g/mol): 166.72 MDL Number: MFCD00009919 InChI Key: BPXKZEMBEZGUAH-UHFFFAOYSA-N Synonym: 2-trimethylsilyl ethoxymethyl chloride,2-chloromethoxy ethyl trimethylsilane,sem-chloride,2-trimethylsilyl ethoxymethylchloride,sem-cl,2-chloromethyl 2-trimethylsilyl ethyl ether,semcl,2-chloromethoxy ethyl-trimethylsilane,2-trimethysilyl-ethoxymethyl chloride PubChem CID: 2724271 IUPAC Name: 2-(chloromethoxy)ethyl-trimethylsilane SMILES: C[Si](C)(C)CCOCCl
| PubChem CID | 2724271 |
|---|---|
| CAS | 76513-69-4 |
| Molecular Weight (g/mol) | 166.72 |
| MDL Number | MFCD00009919 |
| SMILES | C[Si](C)(C)CCOCCl |
| Synonym | 2-trimethylsilyl ethoxymethyl chloride,2-chloromethoxy ethyl trimethylsilane,sem-chloride,2-trimethylsilyl ethoxymethylchloride,sem-cl,2-chloromethyl 2-trimethylsilyl ethyl ether,semcl,2-chloromethoxy ethyl-trimethylsilane,2-trimethysilyl-ethoxymethyl chloride |
| IUPAC Name | 2-(chloromethoxy)ethyl-trimethylsilane |
| InChI Key | BPXKZEMBEZGUAH-UHFFFAOYSA-N |
| Molecular Formula | C6H15ClOSi |
1-Heptadecanol 97.0+%, TCI America™
CAS: 1454-85-9 Molecular Formula: C17H36O Molecular Weight (g/mol): 256.474 MDL Number: MFCD00002822 InChI Key: GOQYKNQRPGWPLP-UHFFFAOYSA-N Synonym: 1-heptadecanol,heptadecyl alcohol,heptadecanol,n-heptadecanol,unii-n3il85tmcx,1-hydroxyheptadecane,alcohols, c16-18,n3il85tmcx,heptadecanol mixed primary isomers,n-heptadecanol-1 PubChem CID: 15076 ChEBI: CHEBI:77470 IUPAC Name: heptadecan-1-ol SMILES: CCCCCCCCCCCCCCCCCO
| PubChem CID | 15076 |
|---|---|
| CAS | 1454-85-9 |
| Molecular Weight (g/mol) | 256.474 |
| ChEBI | CHEBI:77470 |
| MDL Number | MFCD00002822 |
| SMILES | CCCCCCCCCCCCCCCCCO |
| Synonym | 1-heptadecanol,heptadecyl alcohol,heptadecanol,n-heptadecanol,unii-n3il85tmcx,1-hydroxyheptadecane,alcohols, c16-18,n3il85tmcx,heptadecanol mixed primary isomers,n-heptadecanol-1 |
| IUPAC Name | heptadecan-1-ol |
| InChI Key | GOQYKNQRPGWPLP-UHFFFAOYSA-N |
| Molecular Formula | C17H36O |
beta-Methallyl Alcohol 98.0+%, TCI America™
CAS: 513-42-8 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.107 MDL Number: MFCD00004737 InChI Key: BYDRTKVGBRTTIT-UHFFFAOYSA-N Synonym: methallyl alcohol,2-methyl-2-propen-1-ol,2-methylallyl alcohol,isopropenyl carbinol,2-propen-1-ol, 2-methyl,beta-methallyl alcohol,methacryl alcohol,3-hydroxy-2-methylpropene,beta-methylallyl alcohol,2-methyl-2-propene-1-ol PubChem CID: 10557 IUPAC Name: 2-methylprop-2-en-1-ol SMILES: CC(=C)CO
| PubChem CID | 10557 |
|---|---|
| CAS | 513-42-8 |
| Molecular Weight (g/mol) | 72.107 |
| MDL Number | MFCD00004737 |
| SMILES | CC(=C)CO |
| Synonym | methallyl alcohol,2-methyl-2-propen-1-ol,2-methylallyl alcohol,isopropenyl carbinol,2-propen-1-ol, 2-methyl,beta-methallyl alcohol,methacryl alcohol,3-hydroxy-2-methylpropene,beta-methylallyl alcohol,2-methyl-2-propene-1-ol |
| IUPAC Name | 2-methylprop-2-en-1-ol |
| InChI Key | BYDRTKVGBRTTIT-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
D-Araboascorbic Acid 98.0+%, TCI America™
CAS: 89-65-6 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 MDL Number: MFCD00005378 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N Synonym: erythorbic acid,isoascorbic acid,d-araboascorbic acid,d-isoascorbic acid,araboascorbic acid,d-erythorbic acid,isovitamin c,neo-cebicure,saccharosonic acid,mercate 5 PubChem CID: 54675810 ChEBI: CHEBI:51438 IUPAC Name: sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
| PubChem CID | 54675810 |
|---|---|
| CAS | 89-65-6 |
| Molecular Weight (g/mol) | 198.11 |
| ChEBI | CHEBI:51438 |
| MDL Number | MFCD00005378 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| Synonym | erythorbic acid,isoascorbic acid,d-araboascorbic acid,d-isoascorbic acid,araboascorbic acid,d-erythorbic acid,isovitamin c,neo-cebicure,saccharosonic acid,mercate 5 |
| IUPAC Name | sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
3-Acetylpyridine 98.0+%, TCI America™
CAS: 350-03-8 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006396 InChI Key: WEGYGNROSJDEIW-UHFFFAOYSA-N Synonym: 3-acetylpyridine,1-pyridin-3-yl ethanone,3-acetopyridine,1-3-pyridinyl ethanone,methyl 3-pyridyl ketone,ethanone, 1-3-pyridinyl,ketone, methyl 3-pyridyl,3-acetyl pyridine,3-pyridyl methyl ketone,1-pyridin-3-yl ethan-1-one PubChem CID: 9589 IUPAC Name: 1-pyridin-3-ylethanone SMILES: CC(=O)C1=CN=CC=C1
| PubChem CID | 9589 |
|---|---|
| CAS | 350-03-8 |
| Molecular Weight (g/mol) | 121.139 |
| MDL Number | MFCD00006396 |
| SMILES | CC(=O)C1=CN=CC=C1 |
| Synonym | 3-acetylpyridine,1-pyridin-3-yl ethanone,3-acetopyridine,1-3-pyridinyl ethanone,methyl 3-pyridyl ketone,ethanone, 1-3-pyridinyl,ketone, methyl 3-pyridyl,3-acetyl pyridine,3-pyridyl methyl ketone,1-pyridin-3-yl ethan-1-one |
| IUPAC Name | 1-pyridin-3-ylethanone |
| InChI Key | WEGYGNROSJDEIW-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
4'-Hydroxy-3'-methylacetophenone 98.0+%, TCI America™
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 IUPAC Name: 1-(4-hydroxy-3-methylphenyl)ethan-1-one 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 |
| IUPAC Name | 1-(4-hydroxy-3-methylphenyl)ethan-1-one |
| InChI Key | LXBHHIZIQVZGFN-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |