Organooxygen compounds
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Chloroacetaldehyde diethyl acetal, 98%
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 |
3'-Bromopropiophenone, 97%
CAS: 19829-31-3 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD00000084 InChI Key: QSHLXVTVXQTHBS-UHFFFAOYSA-N Synonym: 3'-bromopropiophenone,1-3-bromophenyl propan-1-one,1-propanone, 1-3-bromophenyl,m-bromopropiophenone,1-3-bromophenyl-1-propanone,3-bromophenyl ethyl ketone,attercop-chm at106303,pubchem19020,acmc-209f2u PubChem CID: 88272 IUPAC Name: 1-(3-bromophenyl)propan-1-one SMILES: CCC(=O)C1=CC(=CC=C1)Br
| PubChem CID | 88272 |
|---|---|
| CAS | 19829-31-3 |
| Molecular Weight (g/mol) | 213.074 |
| MDL Number | MFCD00000084 |
| SMILES | CCC(=O)C1=CC(=CC=C1)Br |
| Synonym | 3'-bromopropiophenone,1-3-bromophenyl propan-1-one,1-propanone, 1-3-bromophenyl,m-bromopropiophenone,1-3-bromophenyl-1-propanone,3-bromophenyl ethyl ketone,attercop-chm at106303,pubchem19020,acmc-209f2u |
| IUPAC Name | 1-(3-bromophenyl)propan-1-one |
| InChI Key | QSHLXVTVXQTHBS-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |
1,3-Indanedione, 97%
CAS: 606-23-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.145 MDL Number: MFCD00003779 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) | 146.145 |
| ChEBI | CHEBI:78877 |
| MDL Number | MFCD00003779 |
| 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 |
1-(4-Bromophenyl)-2-hydroxyethan-1-one, Thermo Scientific™
CAS: 3343-45-1 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00174275 InChI Key: FGROGLJVXNYNQC-UHFFFAOYSA-N Synonym: 1-4-bromophenyl-2-hydroxyethanone,1-4-bromophenyl-2-hydroxyethan-1-one,ethanone,1-4-bromophenyl-2-hydroxy,1-4-bromophenyl-2-hydroxy-1-ethanone,1-4-bromophenyl-2-hydroxyethane-1-one,p-bromphenacylalkohol,zlchem 616,bromophenylhydroxyethanone,p-bromo-a-hydroxy acetophenone,4-bromobenzoyl methanol PubChem CID: 520633 IUPAC Name: 1-(4-bromophenyl)-2-hydroxyethanone SMILES: C1=CC(=CC=C1C(=O)CO)Br
| PubChem CID | 520633 |
|---|---|
| CAS | 3343-45-1 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00174275 |
| SMILES | C1=CC(=CC=C1C(=O)CO)Br |
| Synonym | 1-4-bromophenyl-2-hydroxyethanone,1-4-bromophenyl-2-hydroxyethan-1-one,ethanone,1-4-bromophenyl-2-hydroxy,1-4-bromophenyl-2-hydroxy-1-ethanone,1-4-bromophenyl-2-hydroxyethane-1-one,p-bromphenacylalkohol,zlchem 616,bromophenylhydroxyethanone,p-bromo-a-hydroxy acetophenone,4-bromobenzoyl methanol |
| IUPAC Name | 1-(4-bromophenyl)-2-hydroxyethanone |
| InChI Key | FGROGLJVXNYNQC-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
3,5-Dihydroxybenzaldehyde, 98%
CAS: 26153-38-8 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00016611 InChI Key: HAQLHRYUDBKTJG-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dihydroxy,3,5-dihydroxy benzaldehyde,5-formylresorcinol,5-formylbenzene-1,3-diol,pubchem8249,alpha-resorcylic aldehyde,acmc-1cg7h,3,5-dihydoxybenzal dehyde,3,5-dihydroxy-benzaldehyde,.alpha.-resorcylic aldehyde PubChem CID: 94365 ChEBI: CHEBI:50204 IUPAC Name: 3,5-dihydroxybenzaldehyde SMILES: OC1=CC(C=O)=CC(O)=C1
| PubChem CID | 94365 |
|---|---|
| CAS | 26153-38-8 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:50204 |
| MDL Number | MFCD00016611 |
| SMILES | OC1=CC(C=O)=CC(O)=C1 |
| Synonym | benzaldehyde, 3,5-dihydroxy,3,5-dihydroxy benzaldehyde,5-formylresorcinol,5-formylbenzene-1,3-diol,pubchem8249,alpha-resorcylic aldehyde,acmc-1cg7h,3,5-dihydoxybenzal dehyde,3,5-dihydroxy-benzaldehyde,.alpha.-resorcylic aldehyde |
| IUPAC Name | 3,5-dihydroxybenzaldehyde |
| InChI Key | HAQLHRYUDBKTJG-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
4-Methylmorpholine N-oxide monohydrate, 98+%
CAS: 70187-32-5 Molecular Formula: C5H13NO3 Molecular Weight (g/mol): 135.163 MDL Number: MFCD00149388 InChI Key: WAZPLXZGZWWXDQ-UHFFFAOYSA-N Synonym: 4-methylmorpholine n-oxide monohydrate,4-methylmorpholine 4-oxide hydrate,4-methylmorpholine n-oxide hydrate,4-methylmorpholine 4-oxide xhydrate,unii-087wu2ftq5,n-methylmorpholine n-oxide monohydrate,n-methylmorpholine n-oxide hydrate,n-methylmorpholine-n-oxide monohydrate,4-methyl-4-oxidomorpholin-4-ium hydrate,morpholine, 4-methyl-, 4-oxide, hydrate PubChem CID: 2724197 IUPAC Name: 4-methyl-4-oxidomorpholin-4-ium;hydrate SMILES: C[N+]1(CCOCC1)[O-].O
| PubChem CID | 2724197 |
|---|---|
| CAS | 70187-32-5 |
| Molecular Weight (g/mol) | 135.163 |
| MDL Number | MFCD00149388 |
| SMILES | C[N+]1(CCOCC1)[O-].O |
| Synonym | 4-methylmorpholine n-oxide monohydrate,4-methylmorpholine 4-oxide hydrate,4-methylmorpholine n-oxide hydrate,4-methylmorpholine 4-oxide xhydrate,unii-087wu2ftq5,n-methylmorpholine n-oxide monohydrate,n-methylmorpholine n-oxide hydrate,n-methylmorpholine-n-oxide monohydrate,4-methyl-4-oxidomorpholin-4-ium hydrate,morpholine, 4-methyl-, 4-oxide, hydrate |
| IUPAC Name | 4-methyl-4-oxidomorpholin-4-ium;hydrate |
| InChI Key | WAZPLXZGZWWXDQ-UHFFFAOYSA-N |
| Molecular Formula | C5H13NO3 |
4-Hydroxy-4-methyl-2-pentanone, 98+%
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 |
Oleyl alcohol, tech. 80-85%, Thermo Scientific Chemicals
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-Methylbutyraldehyde, 95%
CAS: 96-17-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00006984 InChI Key: BYGQBDHUGHBGMD-UHFFFAOYNA-N Synonym: 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal PubChem CID: 7284 ChEBI: CHEBI:16182 IUPAC Name: 2-methylbutanal SMILES: CCC(C)C=O
| PubChem CID | 7284 |
|---|---|
| CAS | 96-17-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16182 |
| MDL Number | MFCD00006984 |
| SMILES | CCC(C)C=O |
| Synonym | 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal |
| IUPAC Name | 2-methylbutanal |
| InChI Key | BYGQBDHUGHBGMD-UHFFFAOYNA-N |
| Molecular Formula | C5H10O |
6-Thien-2-ylnicotinaldehyde, 97%, Thermo Scientific™
CAS: 834884-61-6 Molecular Formula: C10H7NOS Molecular Weight (g/mol): 189.232 MDL Number: MFCD04115421 InChI Key: TZMYWLDEGHJHDI-UHFFFAOYSA-N Synonym: 6-thien-2-ylnicotinaldehyde,6-thiophen-2-yl nicotinaldehyde,6-thiophen-2-yl pyridine-3-carbaldehyde,6-thiophen-2-yl-pyridine-3-carbaldehyde,6-thien-2-ylnicotinylaldehyde,6-2-thienyl pyridine-3-carbaldehyde,6-thien-2-ylpyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde,6-2-thienyl,2-thien-2-ylpyridine-5-carboxaldehyde PubChem CID: 24229542 IUPAC Name: 6-thiophen-2-ylpyridine-3-carbaldehyde SMILES: C1=CSC(=C1)C2=NC=C(C=C2)C=O
| PubChem CID | 24229542 |
|---|---|
| CAS | 834884-61-6 |
| Molecular Weight (g/mol) | 189.232 |
| MDL Number | MFCD04115421 |
| SMILES | C1=CSC(=C1)C2=NC=C(C=C2)C=O |
| Synonym | 6-thien-2-ylnicotinaldehyde,6-thiophen-2-yl nicotinaldehyde,6-thiophen-2-yl pyridine-3-carbaldehyde,6-thiophen-2-yl-pyridine-3-carbaldehyde,6-thien-2-ylnicotinylaldehyde,6-2-thienyl pyridine-3-carbaldehyde,6-thien-2-ylpyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde,6-2-thienyl,2-thien-2-ylpyridine-5-carboxaldehyde |
| IUPAC Name | 6-thiophen-2-ylpyridine-3-carbaldehyde |
| InChI Key | TZMYWLDEGHJHDI-UHFFFAOYSA-N |
| Molecular Formula | C10H7NOS |
3-Chromanecarboxylic acid, 97%, Thermo Scientific™
CAS: 115822-57-6 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD03783554 InChI Key: UGAGZMGJJFSKQM-UHFFFAOYSA-N Synonym: chroman-3-carboxylic acid,3-chromanecarboxylic acid,chromane-3-carboxylic acid,3,4-dihydro-2h-1-benzopyran-3-carboxylic acid,2h-1-benzopyran-3-carboxylic acid, 3,4-dihydro,2h-1-benzopyran-3-carboxylicacid, 3,4-dihydro,3,4-dihydro-2h-benzopyran-3-carboxylic acid PubChem CID: 2795458 IUPAC Name: 3,4-dihydro-2H-chromene-3-carboxylic acid SMILES: C1C(COC2=CC=CC=C21)C(=O)O
| PubChem CID | 2795458 |
|---|---|
| CAS | 115822-57-6 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD03783554 |
| SMILES | C1C(COC2=CC=CC=C21)C(=O)O |
| Synonym | chroman-3-carboxylic acid,3-chromanecarboxylic acid,chromane-3-carboxylic acid,3,4-dihydro-2h-1-benzopyran-3-carboxylic acid,2h-1-benzopyran-3-carboxylic acid, 3,4-dihydro,2h-1-benzopyran-3-carboxylicacid, 3,4-dihydro,3,4-dihydro-2h-benzopyran-3-carboxylic acid |
| IUPAC Name | 3,4-dihydro-2H-chromene-3-carboxylic acid |
| InChI Key | UGAGZMGJJFSKQM-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
2,3-Dichlorobenzaldehyde, 98%
CAS: 6334-18-5 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00010127 InChI Key: LLMLNAVBOAMOEE-UHFFFAOYSA-N Synonym: benzaldehyde, 2,3-dichloro,dichlorobenzaldehyde,benzaldehyde, dichloro,ccris 8612,dichlorbenzaldehyd,pubchem3079,2,3-dichlorobenzaldehyd,benzaldehyde,3-dichloro,2,3-dichloro-benzaldehyde,acmc-209nf0 PubChem CID: 35745 IUPAC Name: 2,3-dichlorobenzaldehyde SMILES: ClC1=CC=CC(C=O)=C1Cl
| PubChem CID | 35745 |
|---|---|
| CAS | 6334-18-5 |
| Molecular Weight (g/mol) | 175.01 |
| MDL Number | MFCD00010127 |
| SMILES | ClC1=CC=CC(C=O)=C1Cl |
| Synonym | benzaldehyde, 2,3-dichloro,dichlorobenzaldehyde,benzaldehyde, dichloro,ccris 8612,dichlorbenzaldehyd,pubchem3079,2,3-dichlorobenzaldehyd,benzaldehyde,3-dichloro,2,3-dichloro-benzaldehyde,acmc-209nf0 |
| IUPAC Name | 2,3-dichlorobenzaldehyde |
| InChI Key | LLMLNAVBOAMOEE-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
trans-2-Methyl-2-butenal, 98%
CAS: 497-03-0 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00006977 InChI Key: ACWQBUSCFPJUPN-HWKANZROSA-N Synonym: tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e PubChem CID: 5321950 IUPAC Name: (E)-2-methylbut-2-enal SMILES: CC=C(C)C=O
| PubChem CID | 5321950 |
|---|---|
| CAS | 497-03-0 |
| Molecular Weight (g/mol) | 84.12 |
| MDL Number | MFCD00006977 |
| SMILES | CC=C(C)C=O |
| Synonym | tiglic aldehyde,trans-2-methyl-2-butenal,tiglaldehyde,2-methylbut-2-enal,e-2-methylbut-2-enal,tiglic acid aldehyde,e-2-methyl-2-butenal,2-butenal, 2-methyl-, e,tigaldehyde, trans,2-butenal, 2-methyl-, 2e |
| IUPAC Name | (E)-2-methylbut-2-enal |
| InChI Key | ACWQBUSCFPJUPN-HWKANZROSA-N |
| Molecular Formula | C5H8O |
3-Bromo-1-propanol, 97%
CAS: 627-18-9 Molecular Formula: C3H7BrO Molecular Weight (g/mol): 138.99 MDL Number: MFCD00002942 InChI Key: RQFUZUMFPRMVDX-UHFFFAOYSA-N Synonym: 3-bromo-1-propanol,trimethylene bromohydrin,1-propanol, 3-bromo,3-bromopropanol,3-hydroxypropyl bromide,1-bromo-3-propanol,3-bromo-propan-1-ol,ccris 5979,1-bromo-3-hydroxypropane,unii-3t4axh68fh PubChem CID: 12308 IUPAC Name: 3-bromopropan-1-ol SMILES: OCCCBr
| PubChem CID | 12308 |
|---|---|
| CAS | 627-18-9 |
| Molecular Weight (g/mol) | 138.99 |
| MDL Number | MFCD00002942 |
| SMILES | OCCCBr |
| Synonym | 3-bromo-1-propanol,trimethylene bromohydrin,1-propanol, 3-bromo,3-bromopropanol,3-hydroxypropyl bromide,1-bromo-3-propanol,3-bromo-propan-1-ol,ccris 5979,1-bromo-3-hydroxypropane,unii-3t4axh68fh |
| IUPAC Name | 3-bromopropan-1-ol |
| InChI Key | RQFUZUMFPRMVDX-UHFFFAOYSA-N |
| Molecular Formula | C3H7BrO |
Pentaethylene glycol, 98%
CAS: 4792-15-8 Molecular Formula: C10H22O6 Molecular Weight (g/mol): 238.28 MDL Number: MFCD00002878 InChI Key: JLFNLZLINWHATN-UHFFFAOYSA-N Synonym: pentaethylene glycol,3,6,9,12-tetraoxatetradecane-1,14-diol,pentaethyleneglycol,pentaglycol,ho ch2ch2o 5h,3,6,9,12-tetraoxatetradocane-1,14-diol,2-2-2-2-2-hydroxyethoxy ethoxy ethoxy ethoxy ethanol,dsstox_cid_7579,dsstox_rid_78510,dsstox_gsid_27579 PubChem CID: 62551 ChEBI: CHEBI:39631 IUPAC Name: 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol SMILES: C(COCCOCCOCCOCCO)O
| PubChem CID | 62551 |
|---|---|
| CAS | 4792-15-8 |
| Molecular Weight (g/mol) | 238.28 |
| ChEBI | CHEBI:39631 |
| MDL Number | MFCD00002878 |
| SMILES | C(COCCOCCOCCOCCO)O |
| Synonym | pentaethylene glycol,3,6,9,12-tetraoxatetradecane-1,14-diol,pentaethyleneglycol,pentaglycol,ho ch2ch2o 5h,3,6,9,12-tetraoxatetradocane-1,14-diol,2-2-2-2-2-hydroxyethoxy ethoxy ethoxy ethoxy ethanol,dsstox_cid_7579,dsstox_rid_78510,dsstox_gsid_27579 |
| IUPAC Name | 2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol |
| InChI Key | JLFNLZLINWHATN-UHFFFAOYSA-N |
| Molecular Formula | C10H22O6 |