Organooxygen compounds
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Diacetin, mixed isomers, tech. ca 50%, remainder triacetin and monoacetin
CAS: 25395-31-7 Molecular Formula: C7H12O5 MDL Number: MFCD00008717 Synonym: glyceryl diacetate,1,2-diacetin,glycerol diacetate,1,2,3-propanetriol, diacetate,3-hydroxypropane-1,2-diyl diacetate,glycerol 1,2-diacetate,1,2-diacylglycerol,2,3-diacetin,1,2-diacetylglycerol,acetin, di
| CAS | 25395-31-7 |
|---|---|
| MDL Number | MFCD00008717 |
| Synonym | glyceryl diacetate,1,2-diacetin,glycerol diacetate,1,2,3-propanetriol, diacetate,3-hydroxypropane-1,2-diyl diacetate,glycerol 1,2-diacetate,1,2-diacylglycerol,2,3-diacetin,1,2-diacetylglycerol,acetin, di |
| Molecular Formula | C7H12O5 |
4-Hydroxymethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide, 98%
CAS: 5301-78-0 Molecular Formula: C5H9O5P Molecular Weight (g/mol): 180.096 MDL Number: MFCD01677612 InChI Key: YASRHLDAFCMIPB-UHFFFAOYSA-N PubChem CID: 199942 IUPAC Name: (1-oxo-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octan-4-yl)methanol SMILES: C1C2(COP(=O)(O1)OC2)CO
| PubChem CID | 199942 |
|---|---|
| CAS | 5301-78-0 |
| Molecular Weight (g/mol) | 180.096 |
| MDL Number | MFCD01677612 |
| SMILES | C1C2(COP(=O)(O1)OC2)CO |
| IUPAC Name | (1-oxo-2,6,7-trioxa-1$l^{5}-phosphabicyclo[2.2.2]octan-4-yl)methanol |
| InChI Key | YASRHLDAFCMIPB-UHFFFAOYSA-N |
| Molecular Formula | C5H9O5P |
Oleyl Alcohol, Approx. 99%, MP Biomedicals™
CAS: 143-28-2 Molecular Formula: C18H36O Molecular Weight (g/mol): 268.49 MDL Number: MFCD00002993 InChI Key: ALSTYHKOOCGGFT-KTKRTIGZSA-N Synonym: oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol PubChem CID: 5284499 ChEBI: CHEBI:73504 IUPAC Name: (9Z)-octadec-9-en-1-ol SMILES: CCCCCCCC\C=C/CCCCCCCCO
| PubChem CID | 5284499 |
|---|---|
| CAS | 143-28-2 |
| Molecular Weight (g/mol) | 268.49 |
| ChEBI | CHEBI:73504 |
| MDL Number | MFCD00002993 |
| SMILES | CCCCCCCC\C=C/CCCCCCCCO |
| Synonym | oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol |
| IUPAC Name | (9Z)-octadec-9-en-1-ol |
| InChI Key | ALSTYHKOOCGGFT-KTKRTIGZSA-N |
| Molecular Formula | C18H36O |
2-Ethyl-2-(Hydroxymethyl) 1,3-Propanediol, Spectrum™ Chemical
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CAS: 77-99-6
| CAS | 77-99-6 |
|---|
Indole-6-methanol, 97%, Thermo Scientific™
CAS: 1075-26-9 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD02179595 InChI Key: WRMZOPANDOHWJU-UHFFFAOYSA-N Synonym: 6-hydroxymethylindole,1h-indol-6-yl methanol,indole-6-methanol,1h-indole-6-methanol,indol-6-ylmethan-1-ol,indol-6-yl-methanol,pubchem7966,6-hydroxymethyl indole,6-indolmethanol PubChem CID: 2773459 SMILES: OCC1=CC=C2C=CNC2=C1
| PubChem CID | 2773459 |
|---|---|
| CAS | 1075-26-9 |
| Molecular Weight (g/mol) | 147.18 |
| MDL Number | MFCD02179595 |
| SMILES | OCC1=CC=C2C=CNC2=C1 |
| Synonym | 6-hydroxymethylindole,1h-indol-6-yl methanol,indole-6-methanol,1h-indole-6-methanol,indol-6-ylmethan-1-ol,indol-6-yl-methanol,pubchem7966,6-hydroxymethyl indole,6-indolmethanol |
| InChI Key | WRMZOPANDOHWJU-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
(S)-(+)-1,3-Butanediol, 98%
CAS: 24621-61-2 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD00064278 InChI Key: PUPZLCDOIYMWBV-BYPYZUCNSA-N Synonym: s-+-1,3-butanediol,s-butane-1,3-diol,3s-butane-1,3-diol,s-1,3-butanediol,s-+-butane-1,3-diol,1,3-butanediol, 3s,bu2,1,3-butanediol, s,pubchem6722 PubChem CID: 446973 ChEBI: CHEBI:52688 IUPAC Name: (3S)-butane-1,3-diol SMILES: CC(CCO)O
| PubChem CID | 446973 |
|---|---|
| CAS | 24621-61-2 |
| Molecular Weight (g/mol) | 90.12 |
| ChEBI | CHEBI:52688 |
| MDL Number | MFCD00064278 |
| SMILES | CC(CCO)O |
| Synonym | s-+-1,3-butanediol,s-butane-1,3-diol,3s-butane-1,3-diol,s-1,3-butanediol,s-+-butane-1,3-diol,1,3-butanediol, 3s,bu2,1,3-butanediol, s,pubchem6722 |
| IUPAC Name | (3S)-butane-1,3-diol |
| InChI Key | PUPZLCDOIYMWBV-BYPYZUCNSA-N |
| Molecular Formula | C4H10O2 |
4,4,4-Trifluoro-1-butanol, 97%
CAS: 461-18-7 Molecular Formula: C4H7F3O Molecular Weight (g/mol): 128.094 MDL Number: MFCD00041483 InChI Key: VKRFUGHXKNNIJO-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-1-butanol,4,4,4-trifluorobutanol,4,4,4-trifluorobutanol-1,4,4,4-trifluoro-butan-1-ol,1-butanol, 4,4,4-trifluoro,pubchem15240,dl-bicarnesine hydrochloride,ksc237k9h,4,4,4-trifluoro-1-butanol #,4,4,4-tris fluoranyl butan-1-ol PubChem CID: 136307 IUPAC Name: 4,4,4-trifluorobutan-1-ol SMILES: C(CC(F)(F)F)CO
| PubChem CID | 136307 |
|---|---|
| CAS | 461-18-7 |
| Molecular Weight (g/mol) | 128.094 |
| MDL Number | MFCD00041483 |
| SMILES | C(CC(F)(F)F)CO |
| Synonym | 4,4,4-trifluoro-1-butanol,4,4,4-trifluorobutanol,4,4,4-trifluorobutanol-1,4,4,4-trifluoro-butan-1-ol,1-butanol, 4,4,4-trifluoro,pubchem15240,dl-bicarnesine hydrochloride,ksc237k9h,4,4,4-trifluoro-1-butanol #,4,4,4-tris fluoranyl butan-1-ol |
| IUPAC Name | 4,4,4-trifluorobutan-1-ol |
| InChI Key | VKRFUGHXKNNIJO-UHFFFAOYSA-N |
| Molecular Formula | C4H7F3O |
Ethyl 2,4-dioxo-4-(2-thienyl)butanoate, 90%, Thermo Scientific™
CAS: 36983-36-5 Molecular Formula: C10H10O4S Molecular Weight (g/mol): 226.246 MDL Number: MFCD00126316 InChI Key: GCCFYXYKJZUHMI-UHFFFAOYSA-N Synonym: ethyl 2,4-dioxo-4-thiophen-2-yl butanoate,ethyl 2,4-dioxo-4-2-thienyl butanoate,2,4-dioxo-4-thiophen-2-yl-butyric acid ethyl ester,2-thiophenebutanoicacid, a,g-dioxo-, ethyl ester,2,4-dioxo-4-2-thienyl butanoic acid ethyl ester,2,4-dioxo-4-thiophen-2-ylbutyric acid ethyl ester PubChem CID: 2799459 IUPAC Name: ethyl 2,4-dioxo-4-thiophen-2-ylbutanoate SMILES: CCOC(=O)C(=O)CC(=O)C1=CC=CS1
| PubChem CID | 2799459 |
|---|---|
| CAS | 36983-36-5 |
| Molecular Weight (g/mol) | 226.246 |
| MDL Number | MFCD00126316 |
| SMILES | CCOC(=O)C(=O)CC(=O)C1=CC=CS1 |
| Synonym | ethyl 2,4-dioxo-4-thiophen-2-yl butanoate,ethyl 2,4-dioxo-4-2-thienyl butanoate,2,4-dioxo-4-thiophen-2-yl-butyric acid ethyl ester,2-thiophenebutanoicacid, a,g-dioxo-, ethyl ester,2,4-dioxo-4-2-thienyl butanoic acid ethyl ester,2,4-dioxo-4-thiophen-2-ylbutyric acid ethyl ester |
| IUPAC Name | ethyl 2,4-dioxo-4-thiophen-2-ylbutanoate |
| InChI Key | GCCFYXYKJZUHMI-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4S |
2-Amino-5-(4-pyridyl)-1,3,4-thiadiazole, 97%
CAS: 2002-04-2 MDL Number: MFCD00473692
| CAS | 2002-04-2 |
|---|---|
| MDL Number | MFCD00473692 |
| CAS | 2040-04-2 |
|---|---|
| MDL Number | MFCD00008729 |
Propiophenone, 99%
CAS: 93-55-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00009309 InChI Key: KRIOVPPHQSLHCZ-UHFFFAOYSA-N Synonym: propiophenone,ethyl phenyl ketone,propionylbenzene,1-phenyl-1-propanone,1-propanone, 1-phenyl,phenyl ethyl ketone,ketone, ethyl phenyl,propionphenone,usaf ek-1235,1-phenyl-propan-1-one PubChem CID: 7148 ChEBI: CHEBI:425902 IUPAC Name: 1-phenylpropan-1-one SMILES: CCC(=O)C1=CC=CC=C1
| PubChem CID | 7148 |
|---|---|
| CAS | 93-55-0 |
| Molecular Weight (g/mol) | 134.178 |
| ChEBI | CHEBI:425902 |
| MDL Number | MFCD00009309 |
| SMILES | CCC(=O)C1=CC=CC=C1 |
| Synonym | propiophenone,ethyl phenyl ketone,propionylbenzene,1-phenyl-1-propanone,1-propanone, 1-phenyl,phenyl ethyl ketone,ketone, ethyl phenyl,propionphenone,usaf ek-1235,1-phenyl-propan-1-one |
| IUPAC Name | 1-phenylpropan-1-one |
| InChI Key | KRIOVPPHQSLHCZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
3-Acetylbenzoic acid, 98%
CAS: 586-42-5 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00045847 InChI Key: CHZPJUSFUDUEMZ-UHFFFAOYSA-N Synonym: m-acetylbenzoic acid,benzoic acid, 3-acetyl,3-acetylbenzoicacid,3-acetophenonecarboxylic acid,acetophenone-3-carboxylic acid,3-acetyl benzoic acid,3-acetyl-benzoic acid,hypnone-m-carboxylic acid,3-1-oxoethyl benzoic acid,3-acetylbenzoic acid PubChem CID: 220324 IUPAC Name: 3-acetylbenzoic acid SMILES: CC(=O)C1=CC(=CC=C1)C(=O)O
| PubChem CID | 220324 |
|---|---|
| CAS | 586-42-5 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00045847 |
| SMILES | CC(=O)C1=CC(=CC=C1)C(=O)O |
| Synonym | m-acetylbenzoic acid,benzoic acid, 3-acetyl,3-acetylbenzoicacid,3-acetophenonecarboxylic acid,acetophenone-3-carboxylic acid,3-acetyl benzoic acid,3-acetyl-benzoic acid,hypnone-m-carboxylic acid,3-1-oxoethyl benzoic acid,3-acetylbenzoic acid |
| IUPAC Name | 3-acetylbenzoic acid |
| InChI Key | CHZPJUSFUDUEMZ-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
2-Bromo-2'-methylacetophenone, 98%
CAS: 51012-65-8 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD04038955 InChI Key: XMGAXELQRATLJP-UHFFFAOYSA-N Synonym: 2-bromo-1-o-tolyl ethanone,2-bromo-1-2-methylphenyl ethan-1-one,2'-methylphenacyl bromide,2-bromo-1-o-tolylethanone,2-bromo-1-2-methylphenyl ethanone,2-methylphenacyl bromide,2-bromo-1-o-tolyl-ethanone,2-bromo-2'-methylacetophenone,ethanone, 2-bromo-1-methylphenyl,2-bromoacetyl toluene PubChem CID: 12430676 IUPAC Name: 2-bromo-1-(2-methylphenyl)ethanone SMILES: CC1=CC=CC=C1C(=O)CBr
| PubChem CID | 12430676 |
|---|---|
| CAS | 51012-65-8 |
| Molecular Weight (g/mol) | 213.074 |
| MDL Number | MFCD04038955 |
| SMILES | CC1=CC=CC=C1C(=O)CBr |
| Synonym | 2-bromo-1-o-tolyl ethanone,2-bromo-1-2-methylphenyl ethan-1-one,2'-methylphenacyl bromide,2-bromo-1-o-tolylethanone,2-bromo-1-2-methylphenyl ethanone,2-methylphenacyl bromide,2-bromo-1-o-tolyl-ethanone,2-bromo-2'-methylacetophenone,ethanone, 2-bromo-1-methylphenyl,2-bromoacetyl toluene |
| IUPAC Name | 2-bromo-1-(2-methylphenyl)ethanone |
| InChI Key | XMGAXELQRATLJP-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |
Fructose, Granular, USP, 98-102%, Spectrum™ Chemical
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CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO
| CAS | 57-48-7 |
|---|---|
| Molecular Weight (g/mol) | 180.16 |
| SMILES | OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO |
| IUPAC Name | (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
| Molecular Formula | C6H12O6 |
2-Bromo-3'-hydroxyacetophenone, 96%
CAS: 2491-37-4 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.04 MDL Number: MFCD05664326 InChI Key: IEPSGFQQGKPTPM-UHFFFAOYSA-N PubChem CID: 6917206 IUPAC Name: 2-bromo-1-(3-hydroxyphenyl)ethanone SMILES: C1=CC(=CC(=C1)O)C(=O)CBr
| PubChem CID | 6917206 |
|---|---|
| CAS | 2491-37-4 |
| Molecular Weight (g/mol) | 215.04 |
| MDL Number | MFCD05664326 |
| SMILES | C1=CC(=CC(=C1)O)C(=O)CBr |
| IUPAC Name | 2-bromo-1-(3-hydroxyphenyl)ethanone |
| InChI Key | IEPSGFQQGKPTPM-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |