Organooxygen compounds
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Di-2-thienyl ketone, 98%
CAS: 704-38-1 Molecular Formula: C9H6OS2 Molecular Weight (g/mol): 194.266 MDL Number: MFCD00052096 InChI Key: GUTQMBQKTSGBPQ-UHFFFAOYSA-N Synonym: bis 2-thienyl ketone,2-thienyl ketone,di thiophen-2-yl methanone,methanone, di-2-thienyl,di-2-thienylmethanone,di-2-thienyl ketone,di-thiophen-2-yl-methanone,2-2-thenoyl thiophene,bis thiophen-2-yl methanone PubChem CID: 69713 IUPAC Name: dithiophen-2-ylmethanone SMILES: C1=CSC(=C1)C(=O)C2=CC=CS2
| PubChem CID | 69713 |
|---|---|
| CAS | 704-38-1 |
| Molecular Weight (g/mol) | 194.266 |
| MDL Number | MFCD00052096 |
| SMILES | C1=CSC(=C1)C(=O)C2=CC=CS2 |
| Synonym | bis 2-thienyl ketone,2-thienyl ketone,di thiophen-2-yl methanone,methanone, di-2-thienyl,di-2-thienylmethanone,di-2-thienyl ketone,di-thiophen-2-yl-methanone,2-2-thenoyl thiophene,bis thiophen-2-yl methanone |
| IUPAC Name | dithiophen-2-ylmethanone |
| InChI Key | GUTQMBQKTSGBPQ-UHFFFAOYSA-N |
| Molecular Formula | C9H6OS2 |
3',5'-Dihydroxyacetophenone, 97%
CAS: 51863-60-6 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002290 InChI Key: WQXWIKCZNIGMAP-UHFFFAOYSA-N Synonym: 3',5'-dihydroxyacetophenone,1-3,5-dihydroxyphenyl ethanone,3,5-dihydroxyacetophenone,5-acetylresorcinol,1-3,5-dihydroxyphenyl ethan-1-one,unii-kp7r433nnr,ethanone, 1-3,5-dihydroxyphenyl,kp7r433nnr,1-acetyl-3,5-dihydroxybenzene,1-3,5-dihydroxyphenyl-ethanone PubChem CID: 103993 IUPAC Name: 1-(3,5-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1)O)O
| PubChem CID | 103993 |
|---|---|
| CAS | 51863-60-6 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00002290 |
| SMILES | CC(=O)C1=CC(=CC(=C1)O)O |
| Synonym | 3',5'-dihydroxyacetophenone,1-3,5-dihydroxyphenyl ethanone,3,5-dihydroxyacetophenone,5-acetylresorcinol,1-3,5-dihydroxyphenyl ethan-1-one,unii-kp7r433nnr,ethanone, 1-3,5-dihydroxyphenyl,kp7r433nnr,1-acetyl-3,5-dihydroxybenzene,1-3,5-dihydroxyphenyl-ethanone |
| IUPAC Name | 1-(3,5-dihydroxyphenyl)ethanone |
| InChI Key | WQXWIKCZNIGMAP-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
1-(3-Aminophenyl)ethanol, 98%
CAS: 2454-37-7 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00007798 InChI Key: QPKNDHZQPGMLCJ-UHFFFAOYSA-N Synonym: 1-3-aminophenyl ethanol,3-1-hydroxyethyl aniline,m-1-hydroxyethyl aniline,m-amino-alpha-methylbenzyl alcohol,m-aminophenyl methyl carbinol,1-3-aminophenyl ethan-1-ol,3-amino-alpha-methylbenzyl alcohol,benzyl alcohol, m-amino-alpha-methyl,3-aminophenyl-1-ethanol,benzyl alcohol, m-amino-.alpha.-methyl PubChem CID: 222461 IUPAC Name: 1-(3-aminophenyl)ethanol SMILES: CC(C1=CC(=CC=C1)N)O
| PubChem CID | 222461 |
|---|---|
| CAS | 2454-37-7 |
| Molecular Weight (g/mol) | 137.182 |
| MDL Number | MFCD00007798 |
| SMILES | CC(C1=CC(=CC=C1)N)O |
| Synonym | 1-3-aminophenyl ethanol,3-1-hydroxyethyl aniline,m-1-hydroxyethyl aniline,m-amino-alpha-methylbenzyl alcohol,m-aminophenyl methyl carbinol,1-3-aminophenyl ethan-1-ol,3-amino-alpha-methylbenzyl alcohol,benzyl alcohol, m-amino-alpha-methyl,3-aminophenyl-1-ethanol,benzyl alcohol, m-amino-.alpha.-methyl |
| IUPAC Name | 1-(3-aminophenyl)ethanol |
| InChI Key | QPKNDHZQPGMLCJ-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
2-Bromoethyl ether, 90%
CAS: 5414-19-7 Molecular Formula: C4H8Br2O Molecular Weight (g/mol): 231.92 InChI Key: FOZVXADQAHVUSV-UHFFFAOYSA-N Synonym: bis 2-bromoethyl ether,1-bromo-2-2-bromoethoxy ethane,2-bromoethyl ether,2,2'-dibromodiethyl ether,ethane, 1,1'-oxybis 2-bromo,ether, bis 2-bromoethyl,beta,beta'-dibromodiethyl ether,2,2-dibromodiethyl ether,2-bromoethylether PubChem CID: 21521 IUPAC Name: 1-bromo-2-(2-bromoethoxy)ethane SMILES: C(CBr)OCCBr
| PubChem CID | 21521 |
|---|---|
| CAS | 5414-19-7 |
| Molecular Weight (g/mol) | 231.92 |
| SMILES | C(CBr)OCCBr |
| Synonym | bis 2-bromoethyl ether,1-bromo-2-2-bromoethoxy ethane,2-bromoethyl ether,2,2'-dibromodiethyl ether,ethane, 1,1'-oxybis 2-bromo,ether, bis 2-bromoethyl,beta,beta'-dibromodiethyl ether,2,2-dibromodiethyl ether,2-bromoethylether |
| IUPAC Name | 1-bromo-2-(2-bromoethoxy)ethane |
| InChI Key | FOZVXADQAHVUSV-UHFFFAOYSA-N |
| Molecular Formula | C4H8Br2O |
alpha-Cyclopentylmandelic acid, 98%
CAS: 427-49-6 Molecular Formula: C13H16O3 Molecular Weight (g/mol): 220.27 MDL Number: MFCD00019296 InChI Key: WFLUEQCOAQCQLP-UHFFFAOYSA-N Synonym: alpha-cyclopentylmandelic acid,cyclopentylphenylglycolic acid,cyclopentyl hydroxy phenylacetic acid,cyclopentyl-hydroxy-phenyl-acetic acid,cyclopentyl mandelic acid,alpha-cyclopentyl-dl-mandelic acid,a-cyclo pentyl mandelic acid,alpha-cyclopentylmandelicacid,2-rs-cyclopentyl-2-hydroxy-2-phenylacetic acid alpha-cyclopentylmandelic acid,cyclopentylmandelic acid PubChem CID: 98283 IUPAC Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid SMILES: C1CCC(C1)C(C2=CC=CC=C2)(C(=O)O)O
| PubChem CID | 98283 |
|---|---|
| CAS | 427-49-6 |
| Molecular Weight (g/mol) | 220.27 |
| MDL Number | MFCD00019296 |
| SMILES | C1CCC(C1)C(C2=CC=CC=C2)(C(=O)O)O |
| Synonym | alpha-cyclopentylmandelic acid,cyclopentylphenylglycolic acid,cyclopentyl hydroxy phenylacetic acid,cyclopentyl-hydroxy-phenyl-acetic acid,cyclopentyl mandelic acid,alpha-cyclopentyl-dl-mandelic acid,a-cyclo pentyl mandelic acid,alpha-cyclopentylmandelicacid,2-rs-cyclopentyl-2-hydroxy-2-phenylacetic acid alpha-cyclopentylmandelic acid,cyclopentylmandelic acid |
| IUPAC Name | 2-cyclopentyl-2-hydroxy-2-phenylacetic acid |
| InChI Key | WFLUEQCOAQCQLP-UHFFFAOYSA-N |
| Molecular Formula | C13H16O3 |
4-Hydroxy-3-methoxy-DL-mandelic acid, 98%
CAS: 55-10-7 Molecular Formula: C9H10O5 Molecular Weight (g/mol): 198.174 MDL Number: MFCD00004235 InChI Key: CGQCWMIAEPEHNQ-UHFFFAOYSA-N Synonym: vanillylmandelic acid,vanilmandelic acid,dl-4-hydroxy-3-methoxymandelic acid,2-hydroxy-2-4-hydroxy-3-methoxyphenyl acetic acid,4-hydroxy-3-methoxymandelic acid,vanillomandelic acid,+/--vanillylmandelic acid,vma,alpha,4-dihydroxy-3-methoxybenzeneacetic acid,benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy PubChem CID: 1245 ChEBI: CHEBI:20106 IUPAC Name: 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid SMILES: COC1=C(C=CC(=C1)C(C(=O)O)O)O
| PubChem CID | 1245 |
|---|---|
| CAS | 55-10-7 |
| Molecular Weight (g/mol) | 198.174 |
| ChEBI | CHEBI:20106 |
| MDL Number | MFCD00004235 |
| SMILES | COC1=C(C=CC(=C1)C(C(=O)O)O)O |
| Synonym | vanillylmandelic acid,vanilmandelic acid,dl-4-hydroxy-3-methoxymandelic acid,2-hydroxy-2-4-hydroxy-3-methoxyphenyl acetic acid,4-hydroxy-3-methoxymandelic acid,vanillomandelic acid,+/--vanillylmandelic acid,vma,alpha,4-dihydroxy-3-methoxybenzeneacetic acid,benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy |
| IUPAC Name | 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid |
| InChI Key | CGQCWMIAEPEHNQ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O5 |
Benzyl ethyl malonate, tech. 85%
CAS: 42998-51-6 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00009194 InChI Key: CGNOCUSLPSCMLL-UHFFFAOYSA-N Synonym: benzyl ethyl malonate,benzylethyl malonate,malonic acid benzyl ethyl ester,ethyl benzylmalonate,acmc-20alpf,1-benzyl 3-ethyl malonate #,ethyl phenylmethyl propanedioate,1-benzyl 3-ethyl propanedioate,malonic acid 1-benzyl 3-ethyl ester,ethyl phenylmethyl propane-1,3-dioate PubChem CID: 562228 SMILES: CCOC(=O)CC(=O)OCC1=CC=CC=C1
| PubChem CID | 562228 |
|---|---|
| CAS | 42998-51-6 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD00009194 |
| SMILES | CCOC(=O)CC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl ethyl malonate,benzylethyl malonate,malonic acid benzyl ethyl ester,ethyl benzylmalonate,acmc-20alpf,1-benzyl 3-ethyl malonate #,ethyl phenylmethyl propanedioate,1-benzyl 3-ethyl propanedioate,malonic acid 1-benzyl 3-ethyl ester,ethyl phenylmethyl propane-1,3-dioate |
| InChI Key | CGNOCUSLPSCMLL-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
Pyrrole-2-carboxaldehyde, 99%
CAS: 1003-29-8 Molecular Formula: C5H5NO Molecular Weight (g/mol): 95.1 MDL Number: MFCD00005217 InChI Key: ZSKGQVFRTSEPJT-UHFFFAOYSA-N Synonym: pyrrole-2-carboxaldehyde,2-formylpyrrole,1h-pyrrole-2-carboxaldehyde,pyrrole-2-aldehyde,2-pyrrolecarboxaldehyde,pyrrole-2-carbaldehyde,2-pyrrolecarbaldehyde,2-pyrrolylcarboxaldehyde,2-pyrrolaldehyde,alpha-pyrrolaldehyde PubChem CID: 13854 ChEBI: CHEBI:59978 IUPAC Name: 1H-pyrrole-2-carbaldehyde SMILES: C1=CNC(=C1)C=O
| PubChem CID | 13854 |
|---|---|
| CAS | 1003-29-8 |
| Molecular Weight (g/mol) | 95.1 |
| ChEBI | CHEBI:59978 |
| MDL Number | MFCD00005217 |
| SMILES | C1=CNC(=C1)C=O |
| Synonym | pyrrole-2-carboxaldehyde,2-formylpyrrole,1h-pyrrole-2-carboxaldehyde,pyrrole-2-aldehyde,2-pyrrolecarboxaldehyde,pyrrole-2-carbaldehyde,2-pyrrolecarbaldehyde,2-pyrrolylcarboxaldehyde,2-pyrrolaldehyde,alpha-pyrrolaldehyde |
| IUPAC Name | 1H-pyrrole-2-carbaldehyde |
| InChI Key | ZSKGQVFRTSEPJT-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO |
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 |
Cetyl Alcohol, NF, 90-102%, Spectrum™ Chemical
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CAS: 36653-82-4 Molecular Formula: C16H34O Molecular Weight (g/mol): 242.45 MDL Number: MFCD00004760 InChI Key: BXWNKGSJHAJOGX-UHFFFAOYSA-N IUPAC Name: hexadecan-1-ol SMILES: CCCCCCCCCCCCCCCCO
| CAS | 36653-82-4 |
|---|---|
| Molecular Weight (g/mol) | 242.45 |
| MDL Number | MFCD00004760 |
| SMILES | CCCCCCCCCCCCCCCCO |
| IUPAC Name | hexadecan-1-ol |
| InChI Key | BXWNKGSJHAJOGX-UHFFFAOYSA-N |
| Molecular Formula | C16H34O |
Diethyl acetylsuccinate, 97+%
CAS: 1115-30-6 Molecular Formula: C10H16O5 Molecular Weight (g/mol): 216.233 MDL Number: MFCD00009157 InChI Key: DVSDDICSXBCMQJ-UHFFFAOYSA-N Synonym: diethyl 2-acetylsuccinate,diethyl acetylsuccinate,ethyl acetylsuccinate,diethyl acetosuccinate,butanedioic acid, acetyl-, diethyl ester,acetylsuccinic acid diethyl ester,diethylacetylsuccinate,1,4-diethyl 2-acetylbutanedioate,succinic acid, acetyl-, diethyl ester,butanedioic acid, 2-acetyl-, 1,4-diethyl ester PubChem CID: 66197 IUPAC Name: diethyl 2-acetylbutanedioate SMILES: CCOC(=O)CC(C(=O)C)C(=O)OCC
| PubChem CID | 66197 |
|---|---|
| CAS | 1115-30-6 |
| Molecular Weight (g/mol) | 216.233 |
| MDL Number | MFCD00009157 |
| SMILES | CCOC(=O)CC(C(=O)C)C(=O)OCC |
| Synonym | diethyl 2-acetylsuccinate,diethyl acetylsuccinate,ethyl acetylsuccinate,diethyl acetosuccinate,butanedioic acid, acetyl-, diethyl ester,acetylsuccinic acid diethyl ester,diethylacetylsuccinate,1,4-diethyl 2-acetylbutanedioate,succinic acid, acetyl-, diethyl ester,butanedioic acid, 2-acetyl-, 1,4-diethyl ester |
| IUPAC Name | diethyl 2-acetylbutanedioate |
| InChI Key | DVSDDICSXBCMQJ-UHFFFAOYSA-N |
| Molecular Formula | C10H16O5 |
Anisil, 98+%
CAS: 1226-42-2 Molecular Formula: C16H14O4 Molecular Weight (g/mol): 270.284 MDL Number: MFCD00008405 InChI Key: YNANGXWUZWWFKX-UHFFFAOYSA-N Synonym: 4,4'-dimethoxybenzil,anisil,p-anisil,1,2-bis 4-methoxyphenyl ethane-1,2-dione,bis 4-methoxyphenyl ethanedione,ethanedione, bis 4-methoxyphenyl,di-p-anisoyl,p,p'-dimethoxybenzil,1,2-ethanedione, 1,2-bis 4-methoxyphenyl,1,2-bis 4-methoxyphenyl-1,2-ethanedione PubChem CID: 71043 IUPAC Name: 1,2-bis(4-methoxyphenyl)ethane-1,2-dione SMILES: COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC
| PubChem CID | 71043 |
|---|---|
| CAS | 1226-42-2 |
| Molecular Weight (g/mol) | 270.284 |
| MDL Number | MFCD00008405 |
| SMILES | COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC |
| Synonym | 4,4'-dimethoxybenzil,anisil,p-anisil,1,2-bis 4-methoxyphenyl ethane-1,2-dione,bis 4-methoxyphenyl ethanedione,ethanedione, bis 4-methoxyphenyl,di-p-anisoyl,p,p'-dimethoxybenzil,1,2-ethanedione, 1,2-bis 4-methoxyphenyl,1,2-bis 4-methoxyphenyl-1,2-ethanedione |
| IUPAC Name | 1,2-bis(4-methoxyphenyl)ethane-1,2-dione |
| InChI Key | YNANGXWUZWWFKX-UHFFFAOYSA-N |
| Molecular Formula | C16H14O4 |
n-Butyrophenone, 99%
CAS: 495-40-9 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 InChI Key: FFSAXUULYPJSKH-UHFFFAOYSA-N Synonym: butyrophenone,n-butyrophenone,1-butanone, 1-phenyl,phenyl propyl ketone,1-phenyl-1-butanone,propyl phenyl ketone,unii-186i11wb5b,1-phenyl-butan-1-one,propylphenylketone PubChem CID: 10315 IUPAC Name: 1-phenylbutan-1-one SMILES: CCCC(=O)C1=CC=CC=C1
| PubChem CID | 10315 |
|---|---|
| CAS | 495-40-9 |
| Molecular Weight (g/mol) | 148.2 |
| SMILES | CCCC(=O)C1=CC=CC=C1 |
| Synonym | butyrophenone,n-butyrophenone,1-butanone, 1-phenyl,phenyl propyl ketone,1-phenyl-1-butanone,propyl phenyl ketone,unii-186i11wb5b,1-phenyl-butan-1-one,propylphenylketone |
| IUPAC Name | 1-phenylbutan-1-one |
| InChI Key | FFSAXUULYPJSKH-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
Methyl 4-(1-hydroxyethyl)benzoate, 90%, tech.
CAS: 79322-76-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.2 MDL Number: MFCD00216476 InChI Key: KAXLTAULVFFCNL-UHFFFAOYSA-N PubChem CID: 586417 IUPAC Name: methyl 4-(1-hydroxyethyl)benzoate SMILES: CC(C1=CC=C(C=C1)C(=O)OC)O
| PubChem CID | 586417 |
|---|---|
| CAS | 79322-76-2 |
| Molecular Weight (g/mol) | 180.2 |
| MDL Number | MFCD00216476 |
| SMILES | CC(C1=CC=C(C=C1)C(=O)OC)O |
| IUPAC Name | methyl 4-(1-hydroxyethyl)benzoate |
| InChI Key | KAXLTAULVFFCNL-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Pyrrole-2-carboxaldehyde, 99%
CAS: 1003-29-8 Molecular Formula: C5H5NO Molecular Weight (g/mol): 95.101 MDL Number: MFCD00005217 InChI Key: ZSKGQVFRTSEPJT-UHFFFAOYSA-N Synonym: pyrrole-2-carboxaldehyde,2-formylpyrrole,1h-pyrrole-2-carboxaldehyde,pyrrole-2-aldehyde,2-pyrrolecarboxaldehyde,pyrrole-2-carbaldehyde,2-pyrrolecarbaldehyde,2-pyrrolylcarboxaldehyde,2-pyrrolaldehyde,alpha-pyrrolaldehyde PubChem CID: 13854 ChEBI: CHEBI:59978 IUPAC Name: 1H-pyrrole-2-carbaldehyde SMILES: C1=CNC(=C1)C=O
| PubChem CID | 13854 |
|---|---|
| CAS | 1003-29-8 |
| Molecular Weight (g/mol) | 95.101 |
| ChEBI | CHEBI:59978 |
| MDL Number | MFCD00005217 |
| SMILES | C1=CNC(=C1)C=O |
| Synonym | pyrrole-2-carboxaldehyde,2-formylpyrrole,1h-pyrrole-2-carboxaldehyde,pyrrole-2-aldehyde,2-pyrrolecarboxaldehyde,pyrrole-2-carbaldehyde,2-pyrrolecarbaldehyde,2-pyrrolylcarboxaldehyde,2-pyrrolaldehyde,alpha-pyrrolaldehyde |
| IUPAC Name | 1H-pyrrole-2-carbaldehyde |
| InChI Key | ZSKGQVFRTSEPJT-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO |