Organooxygen compounds
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Thenoyltrifluoroacetone, MP Biomedicals™
CAS: 326-91-0 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.18 MDL Number: MFCD00005445 InChI Key: TXBBUSUXYMIVOS-UHFFFAOYSA-N Synonym: 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone PubChem CID: 5601 IUPAC Name: 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CS1
| PubChem CID | 5601 |
|---|---|
| CAS | 326-91-0 |
| Molecular Weight (g/mol) | 222.18 |
| MDL Number | MFCD00005445 |
| SMILES | FC(F)(F)C(=O)CC(=O)C1=CC=CS1 |
| Synonym | 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone |
| IUPAC Name | 4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione |
| InChI Key | TXBBUSUXYMIVOS-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2S |
Benzo-18-crown-6, 97%
CAS: 14098-24-9 Molecular Formula: C16H24O6 Molecular Weight (g/mol): 312.362 MDL Number: MFCD00062741 InChI Key: DSFHXKRFDFROER-UHFFFAOYSA-N PubChem CID: 585779 IUPAC Name: 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene SMILES: C1COCCOCCOC2=CC=CC=C2OCCOCCO1
| PubChem CID | 585779 |
|---|---|
| CAS | 14098-24-9 |
| Molecular Weight (g/mol) | 312.362 |
| MDL Number | MFCD00062741 |
| SMILES | C1COCCOCCOC2=CC=CC=C2OCCOCCO1 |
| IUPAC Name | 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene |
| InChI Key | DSFHXKRFDFROER-UHFFFAOYSA-N |
| Molecular Formula | C16H24O6 |
2-Furaldehyde, 98%
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 4,4-dimethyl-3-oxovalerate, 97%
CAS: 17094-34-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.22 MDL Number: MFCD00042886 InChI Key: VUYNTIDSHCJIKF-UHFFFAOYSA-N Synonym: ethyl pivaloylacetate,ethyl 4,4,4-trimethylacetoacetate,ethyl 4,4-dimethyl-3-oxovalerate,4,4-dimethyl-3-oxovaleric acid ethyl ester,pivaloylacetic acid ethyl ester,ethyl 4,4-dimethyl-3-oxo-pentanoate,pentanoic acid, 4,4-dimethyl-3-oxo-, ethyl ester,4,4-dimethyl-3-oxo-pentanoic acid ethyl ester,ethylpivaloylacetate,pubchem19816 PubChem CID: 86950 IUPAC Name: ethyl 4,4-dimethyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)(C)C
| PubChem CID | 86950 |
|---|---|
| CAS | 17094-34-7 |
| Molecular Weight (g/mol) | 172.22 |
| MDL Number | MFCD00042886 |
| SMILES | CCOC(=O)CC(=O)C(C)(C)C |
| Synonym | ethyl pivaloylacetate,ethyl 4,4,4-trimethylacetoacetate,ethyl 4,4-dimethyl-3-oxovalerate,4,4-dimethyl-3-oxovaleric acid ethyl ester,pivaloylacetic acid ethyl ester,ethyl 4,4-dimethyl-3-oxo-pentanoate,pentanoic acid, 4,4-dimethyl-3-oxo-, ethyl ester,4,4-dimethyl-3-oxo-pentanoic acid ethyl ester,ethylpivaloylacetate,pubchem19816 |
| IUPAC Name | ethyl 4,4-dimethyl-3-oxopentanoate |
| InChI Key | VUYNTIDSHCJIKF-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
2'-Acetoxyacetophenone, 98%
CAS: 7250-94-4 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017223 InChI Key: WWEDAIJJBDFOOK-UHFFFAOYSA-N Synonym: 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci PubChem CID: 16716 IUPAC Name: (2-acetylphenyl) acetate SMILES: CC(=O)OC1=CC=CC=C1C(C)=O
| PubChem CID | 16716 |
|---|---|
| CAS | 7250-94-4 |
| Molecular Weight (g/mol) | 178.19 |
| MDL Number | MFCD00017223 |
| SMILES | CC(=O)OC1=CC=CC=C1C(C)=O |
| Synonym | 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci |
| IUPAC Name | (2-acetylphenyl) acetate |
| InChI Key | WWEDAIJJBDFOOK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
Benzo-15-crown-5, 98%
CAS: 14098-44-3 Molecular Formula: C14H20O5 Molecular Weight (g/mol): 268.31 MDL Number: MFCD00005945 InChI Key: FNEPSTUXZLEUCK-UHFFFAOYSA-N Synonym: benzo-15-crown-5,2,3,5,6,8,9,11,12-octahydrobenzo b 1,4,7,10,13 pentaoxacyclopentadecine,monobenzo-15-crown-5,benzyl 15-crown-5,benzo15c5,denzo15c5,2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine,benzo-15-crown-5-ether,benzo-15-crown 5-ether,ccris 3608 PubChem CID: 84197 ChEBI: CHEBI:37444 IUPAC Name: 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene SMILES: C1COCCOC2=CC=CC=C2OCCOCCO1
| PubChem CID | 84197 |
|---|---|
| CAS | 14098-44-3 |
| Molecular Weight (g/mol) | 268.31 |
| ChEBI | CHEBI:37444 |
| MDL Number | MFCD00005945 |
| SMILES | C1COCCOC2=CC=CC=C2OCCOCCO1 |
| Synonym | benzo-15-crown-5,2,3,5,6,8,9,11,12-octahydrobenzo b 1,4,7,10,13 pentaoxacyclopentadecine,monobenzo-15-crown-5,benzyl 15-crown-5,benzo15c5,denzo15c5,2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine,benzo-15-crown-5-ether,benzo-15-crown 5-ether,ccris 3608 |
| IUPAC Name | 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene |
| InChI Key | FNEPSTUXZLEUCK-UHFFFAOYSA-N |
| Molecular Formula | C14H20O5 |
3,5-Dimethoxybenzaldehyde, 98%
CAS: 7311-34-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00003366 InChI Key: VFZRZRDOXPRTSC-UHFFFAOYSA-N Synonym: 3,5-dimethoxy-benzaldehyde,benzaldehyde, 3,5-dimethoxy,3,5-dimethoxybenzaldehyd,pubchem2645,3,5 dimethoxybenzaldehyde,acmc-1bhx6,3,5 dimethoxylbenzaldehyde,3,5 dimethoxy benzaldehyde,3,5-dimethoxy benzaldehyde,ghl.pd_mitscher_leg0.694 PubChem CID: 81747 IUPAC Name: 3,5-dimethoxybenzaldehyde SMILES: COC1=CC(C=O)=CC(OC)=C1
| PubChem CID | 81747 |
|---|---|
| CAS | 7311-34-4 |
| Molecular Weight (g/mol) | 166.18 |
| MDL Number | MFCD00003366 |
| SMILES | COC1=CC(C=O)=CC(OC)=C1 |
| Synonym | 3,5-dimethoxy-benzaldehyde,benzaldehyde, 3,5-dimethoxy,3,5-dimethoxybenzaldehyd,pubchem2645,3,5 dimethoxybenzaldehyde,acmc-1bhx6,3,5 dimethoxylbenzaldehyde,3,5 dimethoxy benzaldehyde,3,5-dimethoxy benzaldehyde,ghl.pd_mitscher_leg0.694 |
| IUPAC Name | 3,5-dimethoxybenzaldehyde |
| InChI Key | VFZRZRDOXPRTSC-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2,2'-Furil, 98%
CAS: 492-94-4 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.154 MDL Number: MFCD00003241 InChI Key: SXPUVBFQXJHYNS-UHFFFAOYSA-N Synonym: furil,alpha-furil,bipyromucyl,2,2'-furil,bipryomucyl,di-2-furylglyoxal,difuranylglyoxal,ethanedione, di-2-furanyl,di-2-furanylethanedione,a-furil PubChem CID: 68119 IUPAC Name: 1,2-bis(furan-2-yl)ethane-1,2-dione SMILES: C1=COC(=C1)C(=O)C(=O)C2=CC=CO2
| PubChem CID | 68119 |
|---|---|
| CAS | 492-94-4 |
| Molecular Weight (g/mol) | 190.154 |
| MDL Number | MFCD00003241 |
| SMILES | C1=COC(=C1)C(=O)C(=O)C2=CC=CO2 |
| Synonym | furil,alpha-furil,bipyromucyl,2,2'-furil,bipryomucyl,di-2-furylglyoxal,difuranylglyoxal,ethanedione, di-2-furanyl,di-2-furanylethanedione,a-furil |
| IUPAC Name | 1,2-bis(furan-2-yl)ethane-1,2-dione |
| InChI Key | SXPUVBFQXJHYNS-UHFFFAOYSA-N |
| Molecular Formula | C10H6O4 |
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 |
3,4-Dimethyl-1-pentyn-3-ol, 94%
CAS: 1482-15-1 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.17 MDL Number: MFCD00039845 InChI Key: DZNLEQBXXLGELU-UHFFFAOYNA-N PubChem CID: 95483 IUPAC Name: 3,4-dimethylpent-1-yn-3-ol SMILES: CC(C)C(C)(O)C#C
| PubChem CID | 95483 |
|---|---|
| CAS | 1482-15-1 |
| Molecular Weight (g/mol) | 112.17 |
| MDL Number | MFCD00039845 |
| SMILES | CC(C)C(C)(O)C#C |
| IUPAC Name | 3,4-dimethylpent-1-yn-3-ol |
| InChI Key | DZNLEQBXXLGELU-UHFFFAOYNA-N |
| Molecular Formula | C7H12O |
6-Chloropyridine-2-carboxaldehyde, 97%
CAS: 54087-03-5 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.554 MDL Number: MFCD09832941 InChI Key: XTRLIKXVRGWTKW-UHFFFAOYSA-N Synonym: 6-chloropicolinaldehyde,6-chloro-2-pyridinecarbaldehyde,6-chloro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-chloro,2-chloro-6-formylpyridine,6-chloro-2-formylpyridine,2-chloropyridine-6-carboxaldehyde,6-chloro-2-pyridinecarboxaldehyde,pubchem13323,chloropyridinecarbaldehyde PubChem CID: 10796848 IUPAC Name: 6-chloropyridine-2-carbaldehyde SMILES: C1=CC(=NC(=C1)Cl)C=O
| PubChem CID | 10796848 |
|---|---|
| CAS | 54087-03-5 |
| Molecular Weight (g/mol) | 141.554 |
| MDL Number | MFCD09832941 |
| SMILES | C1=CC(=NC(=C1)Cl)C=O |
| Synonym | 6-chloropicolinaldehyde,6-chloro-2-pyridinecarbaldehyde,6-chloro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-chloro,2-chloro-6-formylpyridine,6-chloro-2-formylpyridine,2-chloropyridine-6-carboxaldehyde,6-chloro-2-pyridinecarboxaldehyde,pubchem13323,chloropyridinecarbaldehyde |
| IUPAC Name | 6-chloropyridine-2-carbaldehyde |
| InChI Key | XTRLIKXVRGWTKW-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
3-Ethoxymethylene-2,4-pentanedione, 97+%
CAS: 33884-41-2 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.18 MDL Number: MFCD07368652 InChI Key: ITTXGKOHFZJUEX-UHFFFAOYSA-N PubChem CID: 240418 IUPAC Name: 3-(ethoxymethylidene)pentane-2,4-dione SMILES: CCOC=C(C(C)=O)C(C)=O
| PubChem CID | 240418 |
|---|---|
| CAS | 33884-41-2 |
| Molecular Weight (g/mol) | 156.18 |
| MDL Number | MFCD07368652 |
| SMILES | CCOC=C(C(C)=O)C(C)=O |
| IUPAC Name | 3-(ethoxymethylidene)pentane-2,4-dione |
| InChI Key | ITTXGKOHFZJUEX-UHFFFAOYSA-N |
| Molecular Formula | C8H12O3 |
2-Isopropoxyethanol, 99%
CAS: 109-59-1 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00002866 InChI Key: HCGFUIQPSOCUHI-UHFFFAOYSA-N Synonym: 2-isopropoxyethanol,isopropyl oxitol,isopropyl cellosolve,dowanal eipat,ethanol, 2-isopropoxy,isopropyl glycol,ethylene glycol isopropyl ether,isopropoxyethanol,ethanol, 2-1-methylethoxy,ucar ac PubChem CID: 7996 IUPAC Name: 2-propan-2-yloxyethanol SMILES: CC(C)OCCO
| PubChem CID | 7996 |
|---|---|
| CAS | 109-59-1 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00002866 |
| SMILES | CC(C)OCCO |
| Synonym | 2-isopropoxyethanol,isopropyl oxitol,isopropyl cellosolve,dowanal eipat,ethanol, 2-isopropoxy,isopropyl glycol,ethylene glycol isopropyl ether,isopropoxyethanol,ethanol, 2-1-methylethoxy,ucar ac |
| IUPAC Name | 2-propan-2-yloxyethanol |
| InChI Key | HCGFUIQPSOCUHI-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
Phenylglyoxal monohydrate, 97%
CAS: 1075-06-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00149499 InChI Key: NBIBDIKAOBCFJN-UHFFFAOYSA-N Synonym: dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone PubChem CID: 99611 IUPAC Name: 2,2-dihydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(O)O
| PubChem CID | 99611 |
|---|---|
| CAS | 1075-06-5 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00149499 |
| SMILES | C1=CC=C(C=C1)C(=O)C(O)O |
| Synonym | dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone |
| IUPAC Name | 2,2-dihydroxy-1-phenylethanone |
| InChI Key | NBIBDIKAOBCFJN-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4-Hydroxy-2-methoxybenzaldehyde, 98%
CAS: 18278-34-7 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00051964 InChI Key: WBIZZNFQJPOKDK-UHFFFAOYSA-N Synonym: 4-hydroxy-o-anisaldehyde,benzaldehyde, 4-hydroxy-2-methoxy,4-hydroxyl-2-methoxyl benzaldehyde,4-formyl-3-methoxyphenol,2-formyl-5-hydroxyanisole,4-hydroxy-2-methoxybenaldehyde,4-hydroxy-2-methoxybenzaldehdye,pubchem8130,acmc-209eju,argogel-mb-cho PubChem CID: 519541 IUPAC Name: 4-hydroxy-2-methoxybenzaldehyde SMILES: COC1=CC(O)=CC=C1C=O
| PubChem CID | 519541 |
|---|---|
| CAS | 18278-34-7 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00051964 |
| SMILES | COC1=CC(O)=CC=C1C=O |
| Synonym | 4-hydroxy-o-anisaldehyde,benzaldehyde, 4-hydroxy-2-methoxy,4-hydroxyl-2-methoxyl benzaldehyde,4-formyl-3-methoxyphenol,2-formyl-5-hydroxyanisole,4-hydroxy-2-methoxybenaldehyde,4-hydroxy-2-methoxybenzaldehdye,pubchem8130,acmc-209eju,argogel-mb-cho |
| IUPAC Name | 4-hydroxy-2-methoxybenzaldehyde |
| InChI Key | WBIZZNFQJPOKDK-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |