Organooxygen compounds
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tert-Butyl ethyl ether, 99%
CAS: 637-92-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00009225 InChI Key: NUMQCACRALPSHD-UHFFFAOYSA-N Synonym: tert-butyl ethyl ether,ethyl tert-butyl ether,etbe,propane, 2-ethoxy-2-methyl,ethyl tert-butyl oxide,ether, tert-butyl ethyl,2-methyl-2-ethoxypropane,ethyl t-butyl ether,tert-butylethylether,methyl-2-ethoxypropane PubChem CID: 12512 IUPAC Name: 2-ethoxy-2-methylpropane SMILES: CCOC(C)(C)C
| PubChem CID | 12512 |
|---|---|
| CAS | 637-92-3 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00009225 |
| SMILES | CCOC(C)(C)C |
| Synonym | tert-butyl ethyl ether,ethyl tert-butyl ether,etbe,propane, 2-ethoxy-2-methyl,ethyl tert-butyl oxide,ether, tert-butyl ethyl,2-methyl-2-ethoxypropane,ethyl t-butyl ether,tert-butylethylether,methyl-2-ethoxypropane |
| IUPAC Name | 2-ethoxy-2-methylpropane |
| InChI Key | NUMQCACRALPSHD-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
3-Benzoyl-1,1,1-trifluoroacetone, 98+%
CAS: 326-06-7 Molecular Formula: C10H7F3O2 Molecular Weight (g/mol): 216.16 MDL Number: MFCD00000425 InChI Key: VVXLFFIFNVKFBD-UHFFFAOYSA-N Synonym: benzoyl-1,1,1-trifluoroacetone,benzoyltrifluoroacetone,4,4,4-trifluoro-1-phenyl-1,3-butanedione,benzoyl trifluoroacetyl methane,3-benzoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-phenyl,4,4,4-trifluoro-1-phenyl-butane-1,3-dione,1-benzoyl-3,3,3-trifluoroacetone,.omega.-trifluoroacetyl acetophenone,1-benzoyl-3,3,3-trifluoro-2-propanone PubChem CID: 67589 IUPAC Name: 4,4,4-trifluoro-1-phenylbutane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CC=C1
| PubChem CID | 67589 |
|---|---|
| CAS | 326-06-7 |
| Molecular Weight (g/mol) | 216.16 |
| MDL Number | MFCD00000425 |
| SMILES | FC(F)(F)C(=O)CC(=O)C1=CC=CC=C1 |
| Synonym | benzoyl-1,1,1-trifluoroacetone,benzoyltrifluoroacetone,4,4,4-trifluoro-1-phenyl-1,3-butanedione,benzoyl trifluoroacetyl methane,3-benzoyl-1,1,1-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-phenyl,4,4,4-trifluoro-1-phenyl-butane-1,3-dione,1-benzoyl-3,3,3-trifluoroacetone,.omega.-trifluoroacetyl acetophenone,1-benzoyl-3,3,3-trifluoro-2-propanone |
| IUPAC Name | 4,4,4-trifluoro-1-phenylbutane-1,3-dione |
| InChI Key | VVXLFFIFNVKFBD-UHFFFAOYSA-N |
| Molecular Formula | C10H7F3O2 |
3-Ethoxy-4-hydroxybenzaldehyde, 98%
CAS: 121-32-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00006944 InChI Key: CBOQJANXLMLOSS-UHFFFAOYSA-N Synonym: ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal PubChem CID: 8467 ChEBI: CHEBI:48408 IUPAC Name: 3-ethoxy-4-hydroxybenzaldehyde SMILES: CCOC1=CC(C=O)=CC=C1O
| PubChem CID | 8467 |
|---|---|
| CAS | 121-32-4 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:48408 |
| MDL Number | MFCD00006944 |
| SMILES | CCOC1=CC(C=O)=CC=C1O |
| Synonym | ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal |
| IUPAC Name | 3-ethoxy-4-hydroxybenzaldehyde |
| InChI Key | CBOQJANXLMLOSS-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
1,3-Indanedione, 97%
CAS: 606-23-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 InChI Key: UHKAJLSKXBADFT-UHFFFAOYSA-N Synonym: 1,3-indanedione,1,3-indandione,1h-indene-1,3 2h-dione,1,3-diketohydrindene,indan-1,3-dione,1,3-indanone,indane-1,3-dione,diketohydrindene,1,3-indandion,unii-4djn7yg35g PubChem CID: 11815 ChEBI: CHEBI:78877 IUPAC Name: indene-1,3-dione SMILES: C1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 11815 |
|---|---|
| CAS | 606-23-5 |
| Molecular Weight (g/mol) | 146.15 |
| ChEBI | CHEBI:78877 |
| SMILES | C1C(=O)C2=CC=CC=C2C1=O |
| Synonym | 1,3-indanedione,1,3-indandione,1h-indene-1,3 2h-dione,1,3-diketohydrindene,indan-1,3-dione,1,3-indanone,indane-1,3-dione,diketohydrindene,1,3-indandion,unii-4djn7yg35g |
| IUPAC Name | indene-1,3-dione |
| InChI Key | UHKAJLSKXBADFT-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |
2,2-Dibromo-4'-fluoroacetophenone, 98%
CAS: 7542-64-5 Molecular Formula: C8H5Br2FO Molecular Weight (g/mol): 295.933 MDL Number: MFCD03791309 InChI Key: XFFGHBAVJPOWDG-UHFFFAOYSA-N Synonym: 2,2-dibromo-1-4-fluorophenyl ethanone,alpha,alpha-dibromo-4-fluoroacetophenone,2,2-dibromo-4'-fluoroacetophenone,4'-fluoro-alpha,alpha-dibromoacetophenone,2,2-dibromo-1-4-fluorophenyl ethan-1-one,2,2-bis bromanyl-1-4-fluorophenyl ethanone PubChem CID: 2783255 IUPAC Name: 2,2-dibromo-1-(4-fluorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)C(Br)Br)F
| PubChem CID | 2783255 |
|---|---|
| CAS | 7542-64-5 |
| Molecular Weight (g/mol) | 295.933 |
| MDL Number | MFCD03791309 |
| SMILES | C1=CC(=CC=C1C(=O)C(Br)Br)F |
| Synonym | 2,2-dibromo-1-4-fluorophenyl ethanone,alpha,alpha-dibromo-4-fluoroacetophenone,2,2-dibromo-4'-fluoroacetophenone,4'-fluoro-alpha,alpha-dibromoacetophenone,2,2-dibromo-1-4-fluorophenyl ethan-1-one,2,2-bis bromanyl-1-4-fluorophenyl ethanone |
| IUPAC Name | 2,2-dibromo-1-(4-fluorophenyl)ethanone |
| InChI Key | XFFGHBAVJPOWDG-UHFFFAOYSA-N |
| Molecular Formula | C8H5Br2FO |
3-(Dimethylamino)propiophenone Hydrochloride 98.0+%, TCI America™
CAS: 879-72-1 Molecular Formula: C11H16ClNO Molecular Weight (g/mol): 213.705 MDL Number: MFCD00012481 InChI Key: DKNDBIIKSJWQFL-UHFFFAOYSA-N Synonym: 3-dimethylaminopropiophenone hydrochloride,3-dimethylamino-1-phenylpropan-1-one hydrochloride,3-dimethylamino propiophenone hydrochloride,beta-dimethylaminopropiophenone hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride,nsc 89,dimethylaminoethylphenylketone hydrochloride,propiophenone, 3-dimethylamino-, hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride 1:1,wln: 1n1&2vr &gh PubChem CID: 92844 IUPAC Name: 3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride SMILES: CN(C)CCC(=O)C1=CC=CC=C1.Cl
| PubChem CID | 92844 |
|---|---|
| CAS | 879-72-1 |
| Molecular Weight (g/mol) | 213.705 |
| MDL Number | MFCD00012481 |
| SMILES | CN(C)CCC(=O)C1=CC=CC=C1.Cl |
| Synonym | 3-dimethylaminopropiophenone hydrochloride,3-dimethylamino-1-phenylpropan-1-one hydrochloride,3-dimethylamino propiophenone hydrochloride,beta-dimethylaminopropiophenone hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride,nsc 89,dimethylaminoethylphenylketone hydrochloride,propiophenone, 3-dimethylamino-, hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride 1:1,wln: 1n1&2vr &gh |
| IUPAC Name | 3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride |
| InChI Key | DKNDBIIKSJWQFL-UHFFFAOYSA-N |
| Molecular Formula | C11H16ClNO |
2-Ethoxyethanol 99.0+%, TCI America™
CAS: 110-80-5 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD00002869 InChI Key: ZNQVEEAIQZEUHB-UHFFFAOYSA-N Synonym: cellosolve,oxitol,ethyl cellosolve,ethylene glycol monoethyl ether,ethanol, 2-ethoxy,ethyl glycol,emkanol,hydroxy ether,ethylene glycol ethyl ether,dowanol ee PubChem CID: 8076 ChEBI: CHEBI:46788 IUPAC Name: 2-ethoxyethan-1-ol SMILES: CCOCCO
| PubChem CID | 8076 |
|---|---|
| CAS | 110-80-5 |
| Molecular Weight (g/mol) | 90.12 |
| ChEBI | CHEBI:46788 |
| MDL Number | MFCD00002869 |
| SMILES | CCOCCO |
| Synonym | cellosolve,oxitol,ethyl cellosolve,ethylene glycol monoethyl ether,ethanol, 2-ethoxy,ethyl glycol,emkanol,hydroxy ether,ethylene glycol ethyl ether,dowanol ee |
| IUPAC Name | 2-ethoxyethan-1-ol |
| InChI Key | ZNQVEEAIQZEUHB-UHFFFAOYSA-N |
| Molecular Formula | C4H10O2 |
Diethylene Glycol Bis(3-aminopropyl) Ether 98.0+%, TCI America™
CAS: 4246-51-9 Molecular Formula: C10H26N2O3 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00059850 InChI Key: JCEZOHLWDIONSP-UHFFFAOYSA-P Synonym: 4,7,10-trioxa-1,13-tridecanediamine,3,3'-oxybis ethane-2,1-diyl bis oxy bis propan-1-amine,diethylene glycol bis 3-aminopropyl ether,unii-95w232h4rt,3,3'-oxybis ethyleneoxy bis propylamine,di 3-aminopropyl ether of diethylene glycol,diethylene glycol, di 3-aminopropyl ether,1-propanamine, 3,3'-oxybis 2,1-ethanediyloxy bis,3,3'-oxybis 2,1-ethanediyloxy bis-1-propanamine PubChem CID: 20239 IUPAC Name: 3-{2-[2-(3-azaniumylpropoxy)ethoxy]ethoxy}propan-1-aminium SMILES: [NH3+]CCCOCCOCCOCCC[NH3+]
| PubChem CID | 20239 |
|---|---|
| CAS | 4246-51-9 |
| Molecular Weight (g/mol) | 222.33 |
| MDL Number | MFCD00059850 |
| SMILES | [NH3+]CCCOCCOCCOCCC[NH3+] |
| Synonym | 4,7,10-trioxa-1,13-tridecanediamine,3,3'-oxybis ethane-2,1-diyl bis oxy bis propan-1-amine,diethylene glycol bis 3-aminopropyl ether,unii-95w232h4rt,3,3'-oxybis ethyleneoxy bis propylamine,di 3-aminopropyl ether of diethylene glycol,diethylene glycol, di 3-aminopropyl ether,1-propanamine, 3,3'-oxybis 2,1-ethanediyloxy bis,3,3'-oxybis 2,1-ethanediyloxy bis-1-propanamine |
| IUPAC Name | 3-{2-[2-(3-azaniumylpropoxy)ethoxy]ethoxy}propan-1-aminium |
| InChI Key | JCEZOHLWDIONSP-UHFFFAOYSA-P |
| Molecular Formula | C10H26N2O3 |
Diacetone Alcohol 98.0+%, TCI America™
CAS: 123-42-2 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00004471 InChI Key: SWXVUIWOUIDPGS-UHFFFAOYSA-N Synonym: diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one PubChem CID: 31256 ChEBI: CHEBI:55381 IUPAC Name: 4-hydroxy-4-methylpentan-2-one SMILES: CC(=O)CC(C)(C)O
| PubChem CID | 31256 |
|---|---|
| CAS | 123-42-2 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:55381 |
| MDL Number | MFCD00004471 |
| SMILES | CC(=O)CC(C)(C)O |
| Synonym | diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one |
| IUPAC Name | 4-hydroxy-4-methylpentan-2-one |
| InChI Key | SWXVUIWOUIDPGS-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
myo-Inositol, 99%
CAS: 87-89-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00077932 InChI Key: CDAISMWEOUEBRE-UHFFFAOYSA-N Synonym: scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol PubChem CID: 892 ChEBI: CHEBI:24848 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
| PubChem CID | 892 |
|---|---|
| CAS | 87-89-8 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:24848 |
| MDL Number | MFCD00077932 |
| SMILES | C1(C(C(C(C(C1O)O)O)O)O)O |
| Synonym | scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexol |
| InChI Key | CDAISMWEOUEBRE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O6 |
2'-Hydroxyacetophenone, 98%
CAS: 118-93-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002219 InChI Key: JECYUBVRTQDVAT-UHFFFAOYSA-N Synonym: 2'-hydroxyacetophenone,2-acetylphenol,1-2-hydroxyphenyl ethanone,o-hydroxyacetophenone,o-acetylphenol,o-hydroxyphenyl methyl ketone,ethanone, 1-2-hydroxyphenyl,1-2-hydroxyphenyl ethan-1-one,acetophenone, 2'-hydroxy,2-hydroxyphenyl methyl ketone PubChem CID: 8375 IUPAC Name: 1-(2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1O
| PubChem CID | 8375 |
|---|---|
| CAS | 118-93-4 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00002219 |
| SMILES | CC(=O)C1=CC=CC=C1O |
| Synonym | 2'-hydroxyacetophenone,2-acetylphenol,1-2-hydroxyphenyl ethanone,o-hydroxyacetophenone,o-acetylphenol,o-hydroxyphenyl methyl ketone,ethanone, 1-2-hydroxyphenyl,1-2-hydroxyphenyl ethan-1-one,acetophenone, 2'-hydroxy,2-hydroxyphenyl methyl ketone |
| IUPAC Name | 1-(2-hydroxyphenyl)ethanone |
| InChI Key | JECYUBVRTQDVAT-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
4-Methylcyclohexanol, cis + trans, 98%
CAS: 589-91-3 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.19 MDL Number: MFCD00001449,MFCD00064171,MFCD00064170 InChI Key: MQWCXKGKQLNYQG-UHFFFAOYSA-N Synonym: 4-methylcyclohexanol,trans-4-methylcyclohexanol,cis-4-methylcyclohexanol,cyclohexanol, 4-methyl,1-methyl-4-cyclohexanol,cyclohexanol, 4-methyl-, trans,methyl cyclohexanol,p-methylcyclohexanol,cyclohexanol, 4-methyl-, cis,trans 4-methyl cyclohexanol PubChem CID: 11524 IUPAC Name: 4-methylcyclohexan-1-ol SMILES: CC1CCC(O)CC1
| PubChem CID | 11524 |
|---|---|
| CAS | 589-91-3 |
| Molecular Weight (g/mol) | 114.19 |
| MDL Number | MFCD00001449,MFCD00064171,MFCD00064170 |
| SMILES | CC1CCC(O)CC1 |
| Synonym | 4-methylcyclohexanol,trans-4-methylcyclohexanol,cis-4-methylcyclohexanol,cyclohexanol, 4-methyl,1-methyl-4-cyclohexanol,cyclohexanol, 4-methyl-, trans,methyl cyclohexanol,p-methylcyclohexanol,cyclohexanol, 4-methyl-, cis,trans 4-methyl cyclohexanol |
| IUPAC Name | 4-methylcyclohexan-1-ol |
| InChI Key | MQWCXKGKQLNYQG-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |
4-n-Heptyloxybenzaldehyde, 97%
CAS: 27893-41-0 Molecular Formula: C14H20O2 Molecular Weight (g/mol): 220.312 MDL Number: MFCD00016616 InChI Key: YBCKMIZXHKVONZ-UHFFFAOYSA-N Synonym: 4-heptyloxybenzaldehyde,4-heptyloxy benzaldehyde,p-heptyloxybenzaldehyde,4-n-heptyloxybenzaldehyde,benzaldehyde, 4-heptyloxy,p-heptyloxy benzaldehyde,4-n-heptoxybenzaldehyde,4-heptyloxy-benzaldehyde,p-n-heptoxybenzaldehyde,acmc-209gzj PubChem CID: 119740 IUPAC Name: 4-heptoxybenzaldehyde SMILES: CCCCCCCOC1=CC=C(C=C1)C=O
| PubChem CID | 119740 |
|---|---|
| CAS | 27893-41-0 |
| Molecular Weight (g/mol) | 220.312 |
| MDL Number | MFCD00016616 |
| SMILES | CCCCCCCOC1=CC=C(C=C1)C=O |
| Synonym | 4-heptyloxybenzaldehyde,4-heptyloxy benzaldehyde,p-heptyloxybenzaldehyde,4-n-heptyloxybenzaldehyde,benzaldehyde, 4-heptyloxy,p-heptyloxy benzaldehyde,4-n-heptoxybenzaldehyde,4-heptyloxy-benzaldehyde,p-n-heptoxybenzaldehyde,acmc-209gzj |
| IUPAC Name | 4-heptoxybenzaldehyde |
| InChI Key | YBCKMIZXHKVONZ-UHFFFAOYSA-N |
| Molecular Formula | C14H20O2 |
1,2-Diethoxyethane, 98%
CAS: 629-14-1 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00009253 InChI Key: LZDKZFUFMNSQCJ-UHFFFAOYSA-N Synonym: ethylene glycol diethyl ether,diethyl cellosolve,ethane, 1,2-diethoxy,hisolve eme,3,6-dioxaoctane,glyme-1,diethyl glycol,2-ethoxyethyl ethyl ether,egdee,diethylether ethylenglykolu PubChem CID: 12375 IUPAC Name: 1,2-diethoxyethane SMILES: CCOCCOCC
| PubChem CID | 12375 |
|---|---|
| CAS | 629-14-1 |
| Molecular Weight (g/mol) | 118.176 |
| MDL Number | MFCD00009253 |
| SMILES | CCOCCOCC |
| Synonym | ethylene glycol diethyl ether,diethyl cellosolve,ethane, 1,2-diethoxy,hisolve eme,3,6-dioxaoctane,glyme-1,diethyl glycol,2-ethoxyethyl ethyl ether,egdee,diethylether ethylenglykolu |
| IUPAC Name | 1,2-diethoxyethane |
| InChI Key | LZDKZFUFMNSQCJ-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
Butyraldehyde 98.0+%, TCI America™
CAS: 123-72-8 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00007023 InChI Key: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N Synonym: butyraldehyde,n-butyraldehyde,butyral,1-butanal,butyric aldehyde,butanaldehyde,butaldehyde,butalyde,butal,n-butanal PubChem CID: 261 ChEBI: CHEBI:15743 IUPAC Name: butanal SMILES: CCCC=O
| PubChem CID | 261 |
|---|---|
| CAS | 123-72-8 |
| Molecular Weight (g/mol) | 72.11 |
| ChEBI | CHEBI:15743 |
| MDL Number | MFCD00007023 |
| SMILES | CCCC=O |
| Synonym | butyraldehyde,n-butyraldehyde,butyral,1-butanal,butyric aldehyde,butanaldehyde,butaldehyde,butalyde,butal,n-butanal |
| IUPAC Name | butanal |
| InChI Key | ZTQSAGDEMFDKMZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |