Organooxygen compounds
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Chloroacetaldehyde Diethyl Acetal 98.0+%, TCI America™
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CAS: 621-62-5 Molecular Formula: C6H13ClO2 Molecular Weight (g/mol): 152.62 MDL Number: MFCD00000949 InChI Key: OVXJWSYBABKZMD-UHFFFAOYSA-N Synonym: chloroacetaldehyde diethyl acetal,chloroacetal,ethane, 2-chloro-1,1-diethoxy,diethoxyethyl chloride,1,1-diethoxy-2-chloroethane,2-chloroacetaldehyde diethyl acetal,monochloroacetaldehyde diethyl acetal,chloroacetaldehydediethylacetal,acetaldehyde, chloro-, diethyl acetal,2-chloroacetal PubChem CID: 12128 IUPAC Name: 2-chloro-1,1-diethoxyethane SMILES: CCOC(CCl)OCC
| PubChem CID | 12128 |
|---|---|
| CAS | 621-62-5 |
| Molecular Weight (g/mol) | 152.62 |
| MDL Number | MFCD00000949 |
| SMILES | CCOC(CCl)OCC |
| Synonym | chloroacetaldehyde diethyl acetal,chloroacetal,ethane, 2-chloro-1,1-diethoxy,diethoxyethyl chloride,1,1-diethoxy-2-chloroethane,2-chloroacetaldehyde diethyl acetal,monochloroacetaldehyde diethyl acetal,chloroacetaldehydediethylacetal,acetaldehyde, chloro-, diethyl acetal,2-chloroacetal |
| IUPAC Name | 2-chloro-1,1-diethoxyethane |
| InChI Key | OVXJWSYBABKZMD-UHFFFAOYSA-N |
| Molecular Formula | C6H13ClO2 |
2-Hydroxyethyl Acetate 60.0+%, TCI America™
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CAS: 542-59-6 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.105 MDL Number: MFCD00002864 InChI Key: HXDLWJWIAHWIKI-UHFFFAOYSA-N Synonym: Ethylene Glycol Monoacetate, Acetic Acid 2-Hydroxyethyl Ester PubChem CID: 10960 IUPAC Name: 2-hydroxyethyl acetate SMILES: CC(=O)OCCO
| PubChem CID | 10960 |
|---|---|
| CAS | 542-59-6 |
| Molecular Weight (g/mol) | 104.105 |
| MDL Number | MFCD00002864 |
| SMILES | CC(=O)OCCO |
| Synonym | Ethylene Glycol Monoacetate, Acetic Acid 2-Hydroxyethyl Ester |
| IUPAC Name | 2-hydroxyethyl acetate |
| InChI Key | HXDLWJWIAHWIKI-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
Aloe Emodin 97.0+%, TCI America™
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CAS: 481-72-1 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00017373 InChI Key: YDQWDHRMZQUTBA-UHFFFAOYSA-N Synonym: 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone PubChem CID: 10207 ChEBI: CHEBI:2607 IUPAC Name: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O
| PubChem CID | 10207 |
|---|---|
| CAS | 481-72-1 |
| Molecular Weight (g/mol) | 270.24 |
| ChEBI | CHEBI:2607 |
| MDL Number | MFCD00017373 |
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O |
| Synonym | 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone |
| IUPAC Name | 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione |
| InChI Key | YDQWDHRMZQUTBA-UHFFFAOYSA-N |
| Molecular Formula | C15H10O5 |
2,5-Diformylfuran 98.0+%, TCI America™
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CAS: 823-82-5 Molecular Formula: C6H4O3 Molecular Weight (g/mol): 124.10 MDL Number: MFCD00671517 InChI Key: PXJJKVNIMAZHCB-UHFFFAOYSA-N Synonym: 2,5-Furandicarboxaldehyde PubChem CID: 69980 ChEBI: CHEBI:83385 IUPAC Name: furan-2,5-dicarbaldehyde SMILES: O=CC1=CC=C(O1)C=O
| PubChem CID | 69980 |
|---|---|
| CAS | 823-82-5 |
| Molecular Weight (g/mol) | 124.10 |
| ChEBI | CHEBI:83385 |
| MDL Number | MFCD00671517 |
| SMILES | O=CC1=CC=C(O1)C=O |
| Synonym | 2,5-Furandicarboxaldehyde |
| IUPAC Name | furan-2,5-dicarbaldehyde |
| InChI Key | PXJJKVNIMAZHCB-UHFFFAOYSA-N |
| Molecular Formula | C6H4O3 |
1-Propoxy-2-propanol (contains 2-Isopropoxy-1-propanol) 93.0+%, TCI America™
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CAS: 1569-01-3 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00192420 InChI Key: FENFUOGYJVOCRY-UHFFFAOYNA-N Synonym: Propylene Glycol Monopropyl Ether PubChem CID: 15286 IUPAC Name: 1-propoxypropan-2-ol SMILES: CCCOCC(C)O
| PubChem CID | 15286 |
|---|---|
| CAS | 1569-01-3 |
| Molecular Weight (g/mol) | 118.18 |
| MDL Number | MFCD00192420 |
| SMILES | CCCOCC(C)O |
| Synonym | Propylene Glycol Monopropyl Ether |
| IUPAC Name | 1-propoxypropan-2-ol |
| InChI Key | FENFUOGYJVOCRY-UHFFFAOYNA-N |
| Molecular Formula | C6H14O2 |
Isovaleraldehyde 98.0+%, TCI America™
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CAS: 590-86-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00007014 InChI Key: YGHRJJRRZDOVPD-UHFFFAOYSA-N Synonym: isovaleraldehyde,3-methylbutyraldehyde,isopentaldehyde,isovaleral,isovalerylaldehyde,isoamylaldehyde,butanal, 3-methyl,isopentanal,beta-methylbutanal,isovaleric aldehyde PubChem CID: 11552 ChEBI: CHEBI:16638 IUPAC Name: 3-methylbutanal SMILES: CC(C)CC=O
| PubChem CID | 11552 |
|---|---|
| CAS | 590-86-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16638 |
| MDL Number | MFCD00007014 |
| SMILES | CC(C)CC=O |
| Synonym | isovaleraldehyde,3-methylbutyraldehyde,isopentaldehyde,isovaleral,isovalerylaldehyde,isoamylaldehyde,butanal, 3-methyl,isopentanal,beta-methylbutanal,isovaleric aldehyde |
| IUPAC Name | 3-methylbutanal |
| InChI Key | YGHRJJRRZDOVPD-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
Terephthalaldehydic Acid 98.0+%, TCI America™
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CAS: 619-66-9 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.133 MDL Number: MFCD00006951 InChI Key: GOUHYARYYWKXHS-UHFFFAOYSA-N Synonym: 4-carboxybenzaldehyde,benzoic acid, 4-formyl,terephthalaldehydic acid,p-formylbenzoic acid,p-carboxybenzaldehyde,terephthaldehydic acid,4-carboxybenzaladehyde,4-formyl-benzoic acid,4-formylbenzoicacid,unii-ues4qrk36e PubChem CID: 12088 IUPAC Name: 4-formylbenzoic acid SMILES: C1=CC(=CC=C1C=O)C(=O)O
| PubChem CID | 12088 |
|---|---|
| CAS | 619-66-9 |
| Molecular Weight (g/mol) | 150.133 |
| MDL Number | MFCD00006951 |
| SMILES | C1=CC(=CC=C1C=O)C(=O)O |
| Synonym | 4-carboxybenzaldehyde,benzoic acid, 4-formyl,terephthalaldehydic acid,p-formylbenzoic acid,p-carboxybenzaldehyde,terephthaldehydic acid,4-carboxybenzaladehyde,4-formyl-benzoic acid,4-formylbenzoicacid,unii-ues4qrk36e |
| IUPAC Name | 4-formylbenzoic acid |
| InChI Key | GOUHYARYYWKXHS-UHFFFAOYSA-N |
| Molecular Formula | C8H6O3 |
4'-Chloropropiophenone 98.0+%, TCI America™
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CAS: 6285-05-8 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00000626 InChI Key: ADCYRBXQAJXJTD-UHFFFAOYSA-N Synonym: 4'-chloropropiophenone,1-4-chlorophenyl propan-1-one,p-chloropropiophenone,4-chloropropiophenone,1-propanone, 1-4-chlorophenyl,propiophenone, 4'-chloro,propiophenone, p-chloro,ethyl p-chlorophenyl ketone,usaf ek-5296,unii-26ay8wja1e PubChem CID: 22697 IUPAC Name: 1-(4-chlorophenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)Cl
| PubChem CID | 22697 |
|---|---|
| CAS | 6285-05-8 |
| Molecular Weight (g/mol) | 168.62 |
| MDL Number | MFCD00000626 |
| SMILES | CCC(=O)C1=CC=C(C=C1)Cl |
| Synonym | 4'-chloropropiophenone,1-4-chlorophenyl propan-1-one,p-chloropropiophenone,4-chloropropiophenone,1-propanone, 1-4-chlorophenyl,propiophenone, 4'-chloro,propiophenone, p-chloro,ethyl p-chlorophenyl ketone,usaf ek-5296,unii-26ay8wja1e |
| IUPAC Name | 1-(4-chlorophenyl)propan-1-one |
| InChI Key | ADCYRBXQAJXJTD-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO |
Diethyl Ethylmalonate 98.0+%, TCI America™
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CAS: 133-13-1 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00009167 InChI Key: VQAZCUCWHIIFGE-UHFFFAOYSA-N Synonym: diethyl ethylmalonate,diethyl 2-ethylmalonate,propanedioic acid, ethyl-, diethyl ester,ethylmalonic acid diethyl ester,1,3-diethyl 2-ethylpropanedioate,unii-69g92oyr3m,propanedioic acid, 2-ethyl-, 1,3-diethyl ester,malonic acid, ethyl-, diethyl ester,diethyl ethylpropanedioate,diethyl 2-ethylpropane-1,3-dioate PubChem CID: 8610 IUPAC Name: diethyl 2-ethylpropanedioate SMILES: CCC(C(=O)OCC)C(=O)OCC
| PubChem CID | 8610 |
|---|---|
| CAS | 133-13-1 |
| Molecular Weight (g/mol) | 188.223 |
| MDL Number | MFCD00009167 |
| SMILES | CCC(C(=O)OCC)C(=O)OCC |
| Synonym | diethyl ethylmalonate,diethyl 2-ethylmalonate,propanedioic acid, ethyl-, diethyl ester,ethylmalonic acid diethyl ester,1,3-diethyl 2-ethylpropanedioate,unii-69g92oyr3m,propanedioic acid, 2-ethyl-, 1,3-diethyl ester,malonic acid, ethyl-, diethyl ester,diethyl ethylpropanedioate,diethyl 2-ethylpropane-1,3-dioate |
| IUPAC Name | diethyl 2-ethylpropanedioate |
| InChI Key | VQAZCUCWHIIFGE-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |
2-Methyl-2-pentanol 96.0+%, TCI America™
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CAS: 590-36-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00004485 InChI Key: WFRBDWRZVBPBDO-UHFFFAOYSA-N Synonym: 2-methyl-2-pentanol,2-pentanol, 2-methyl,2-hydroxy-2-methylpentane,unii-hu2so831kp,dimethylpropylcarbinol,hu2so831kp,1,1-dimethylbutanol,methyl-2 pentanol-2,2-methyl-2-hydroxypentane,acmc-209m9l PubChem CID: 11543 IUPAC Name: 2-methylpentan-2-ol SMILES: CCCC(C)(C)O
| PubChem CID | 11543 |
|---|---|
| CAS | 590-36-3 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00004485 |
| SMILES | CCCC(C)(C)O |
| Synonym | 2-methyl-2-pentanol,2-pentanol, 2-methyl,2-hydroxy-2-methylpentane,unii-hu2so831kp,dimethylpropylcarbinol,hu2so831kp,1,1-dimethylbutanol,methyl-2 pentanol-2,2-methyl-2-hydroxypentane,acmc-209m9l |
| IUPAC Name | 2-methylpentan-2-ol |
| InChI Key | WFRBDWRZVBPBDO-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
Glyoxylic Acid (ca. 50% in Water, ca. 9mol/L), TCI America™
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CAS: 298-12-4 Molecular Formula: C2H2O3 Molecular Weight (g/mol): 74.035 MDL Number: MFCD00006958 InChI Key: HHLFWLYXYJOTON-UHFFFAOYSA-N Synonym: glyoxylic acid,2-oxoacetic acid,oxoacetic acid,oxoethanoic acid,glyoxalic acid,formylformic acid,acetic acid, oxo,oxalaldehydic acid,glyoxylate,alpha-ketoacetic acid PubChem CID: 760 ChEBI: CHEBI:16891 IUPAC Name: oxaldehydic acid SMILES: C(=O)C(=O)O
| PubChem CID | 760 |
|---|---|
| CAS | 298-12-4 |
| Molecular Weight (g/mol) | 74.035 |
| ChEBI | CHEBI:16891 |
| MDL Number | MFCD00006958 |
| SMILES | C(=O)C(=O)O |
| Synonym | glyoxylic acid,2-oxoacetic acid,oxoacetic acid,oxoethanoic acid,glyoxalic acid,formylformic acid,acetic acid, oxo,oxalaldehydic acid,glyoxylate,alpha-ketoacetic acid |
| IUPAC Name | oxaldehydic acid |
| InChI Key | HHLFWLYXYJOTON-UHFFFAOYSA-N |
| Molecular Formula | C2H2O3 |
4'-Ethylacetophenone 97.0+%, TCI America™
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CAS: 937-30-4 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00009262 InChI Key: NODGRWCMFMEGJH-UHFFFAOYSA-N Synonym: 4'-ethylacetophenone,1-4-ethylphenyl ethanone,p-ethylacetophenone,4-ethylacetophenone,ethanone, 1-4-ethylphenyl,p-acetylethylbenzene,acetophenone, 4'-ethyl,p-ethylphenyl methyl ketone,1-4-ethylphenyl ethan-1-one PubChem CID: 13642 IUPAC Name: 1-(4-ethylphenyl)ethanone SMILES: CCC1=CC=C(C=C1)C(=O)C
| PubChem CID | 13642 |
|---|---|
| CAS | 937-30-4 |
| Molecular Weight (g/mol) | 148.205 |
| MDL Number | MFCD00009262 |
| SMILES | CCC1=CC=C(C=C1)C(=O)C |
| Synonym | 4'-ethylacetophenone,1-4-ethylphenyl ethanone,p-ethylacetophenone,4-ethylacetophenone,ethanone, 1-4-ethylphenyl,p-acetylethylbenzene,acetophenone, 4'-ethyl,p-ethylphenyl methyl ketone,1-4-ethylphenyl ethan-1-one |
| IUPAC Name | 1-(4-ethylphenyl)ethanone |
| InChI Key | NODGRWCMFMEGJH-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
Chlorogenic Acid Hydrate 98.0+%, TCI America™
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CAS: 327-97-9 Molecular Formula: C16H18O9 Molecular Weight (g/mol): 354.31 MDL Number: MFCD00003862 InChI Key: CWVRJTMFETXNAD-JUHZACGLSA-N Synonym: chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri PubChem CID: 1794427 ChEBI: CHEBI:16112 IUPAC Name: (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O
| PubChem CID | 1794427 |
|---|---|
| CAS | 327-97-9 |
| Molecular Weight (g/mol) | 354.31 |
| ChEBI | CHEBI:16112 |
| MDL Number | MFCD00003862 |
| SMILES | O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O |
| Synonym | chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri |
| IUPAC Name | (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| InChI Key | CWVRJTMFETXNAD-JUHZACGLSA-N |
| Molecular Formula | C16H18O9 |
3-Methyl-2-buten-1-ol 98.0+%, TCI America™
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CAS: 556-82-1 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00002916 InChI Key: ASUAYTHWZCLXAN-UHFFFAOYSA-N Synonym: 3-methyl-2-buten-1-ol,prenol,3,3-dimethylallyl alcohol,2-buten-1-ol, 3-methyl,prenyl alcohol,3-methyl-2-butenol,dimethylallyl alcohol,3-methyl-2-butenyl alcohol,3-methylcrotyl alcohol,3-methyl-2-butene-1-ol PubChem CID: 11173 ChEBI: CHEBI:16019 IUPAC Name: 3-methylbut-2-en-1-ol SMILES: CC(C)=CCO
| PubChem CID | 11173 |
|---|---|
| CAS | 556-82-1 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16019 |
| MDL Number | MFCD00002916 |
| SMILES | CC(C)=CCO |
| Synonym | 3-methyl-2-buten-1-ol,prenol,3,3-dimethylallyl alcohol,2-buten-1-ol, 3-methyl,prenyl alcohol,3-methyl-2-butenol,dimethylallyl alcohol,3-methyl-2-butenyl alcohol,3-methylcrotyl alcohol,3-methyl-2-butene-1-ol |
| IUPAC Name | 3-methylbut-2-en-1-ol |
| InChI Key | ASUAYTHWZCLXAN-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
2-Bromoethyl Methyl Ether 95.0+%, TCI America™
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CAS: 6482-24-2 Molecular Formula: C3H7BrO Molecular Weight (g/mol): 138.992 MDL Number: MFCD00000236 InChI Key: YZUPZGFPHUVJKC-UHFFFAOYSA-N Synonym: 2-bromoethyl methyl ether,2-methoxyethyl bromide,ethane, 1-bromo-2-methoxy,ether, 2-bromoethyl methyl,methoxyethyl bromide,2-bromoethylmethylether,bromoethyl methyl ether,2-bromoethylmethyl ether,2-bromoethylmethyl-ether,2-bromo-1-methoxyethane PubChem CID: 80972 IUPAC Name: 1-bromo-2-methoxyethane SMILES: COCCBr
| PubChem CID | 80972 |
|---|---|
| CAS | 6482-24-2 |
| Molecular Weight (g/mol) | 138.992 |
| MDL Number | MFCD00000236 |
| SMILES | COCCBr |
| Synonym | 2-bromoethyl methyl ether,2-methoxyethyl bromide,ethane, 1-bromo-2-methoxy,ether, 2-bromoethyl methyl,methoxyethyl bromide,2-bromoethylmethylether,bromoethyl methyl ether,2-bromoethylmethyl ether,2-bromoethylmethyl-ether,2-bromo-1-methoxyethane |
| IUPAC Name | 1-bromo-2-methoxyethane |
| InChI Key | YZUPZGFPHUVJKC-UHFFFAOYSA-N |
| Molecular Formula | C3H7BrO |