Organooxygen compounds
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Acetylacetaldehyde dimethyl acetal, 92%
CAS: 5436-21-5 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00008789 InChI Key: PJCCSZUMZMCWSX-UHFFFAOYSA-N Synonym: 4,4-dimethoxy-2-butanone,acetylacetaldehyde dimethyl acetal,2-butanone, 4,4-dimethoxy,1,1-dimethoxy-3-butanone,acetoacetaldehyde dimethyl acetal,3-oxobutyraldehyde dimethyl acetal,4,4-dimethoxybutanone,acetylacetaldehyddimethylacetal,3-ketobutyraldehyde dimethylacetal,formylacetone dimethyl acetal PubChem CID: 228548 IUPAC Name: 4,4-dimethoxybutan-2-one SMILES: COC(CC(C)=O)OC
| PubChem CID | 228548 |
|---|---|
| CAS | 5436-21-5 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00008789 |
| SMILES | COC(CC(C)=O)OC |
| Synonym | 4,4-dimethoxy-2-butanone,acetylacetaldehyde dimethyl acetal,2-butanone, 4,4-dimethoxy,1,1-dimethoxy-3-butanone,acetoacetaldehyde dimethyl acetal,3-oxobutyraldehyde dimethyl acetal,4,4-dimethoxybutanone,acetylacetaldehyddimethylacetal,3-ketobutyraldehyde dimethylacetal,formylacetone dimethyl acetal |
| IUPAC Name | 4,4-dimethoxybutan-2-one |
| InChI Key | PJCCSZUMZMCWSX-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
2-Chloroacetophenone, 98%, Thermo Scientific Chemicals
CAS: 532-27-4 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.59 MDL Number: MFCD00000933 InChI Key: IMACFCSSMIZSPP-UHFFFAOYSA-N Synonym: 2-chloroacetophenone,phenacyl chloride,omega-chloroacetophenone,chloroacetophenone,tear gas,mace lacrimator,alpha-chloroacetophenone,ethanone, 2-chloro-1-phenyl,mace,1-chloroacetophenone PubChem CID: 10757 IUPAC Name: 2-chloro-1-phenylethan-1-one SMILES: ClCC(=O)C1=CC=CC=C1
| PubChem CID | 10757 |
|---|---|
| CAS | 532-27-4 |
| Molecular Weight (g/mol) | 154.59 |
| MDL Number | MFCD00000933 |
| SMILES | ClCC(=O)C1=CC=CC=C1 |
| Synonym | 2-chloroacetophenone,phenacyl chloride,omega-chloroacetophenone,chloroacetophenone,tear gas,mace lacrimator,alpha-chloroacetophenone,ethanone, 2-chloro-1-phenyl,mace,1-chloroacetophenone |
| IUPAC Name | 2-chloro-1-phenylethan-1-one |
| InChI Key | IMACFCSSMIZSPP-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO |
1-Octadecanol, 97%
CAS: 112-92-5 Molecular Formula: C18H38O Molecular Weight (g/mol): 270.501 MDL Number: MFCD00002823 InChI Key: GLDOVTGHNKAZLK-UHFFFAOYSA-N Synonym: stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol PubChem CID: 8221 ChEBI: CHEBI:32154 IUPAC Name: octadecan-1-ol SMILES: CCCCCCCCCCCCCCCCCCO
| PubChem CID | 8221 |
|---|---|
| CAS | 112-92-5 |
| Molecular Weight (g/mol) | 270.501 |
| ChEBI | CHEBI:32154 |
| MDL Number | MFCD00002823 |
| SMILES | CCCCCCCCCCCCCCCCCCO |
| Synonym | stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol |
| IUPAC Name | octadecan-1-ol |
| InChI Key | GLDOVTGHNKAZLK-UHFFFAOYSA-N |
| Molecular Formula | C18H38O |
2-Bromo-4'-methoxyacetophenone, 98%
CAS: 2632-13-5 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00000201 InChI Key: XQJAHBHCLXUGEP-UHFFFAOYSA-N Synonym: 2-bromo-4'-methoxyacetophenone,2-bromo-1-4-methoxyphenyl ethanone,ethanone, 2-bromo-1-4-methoxyphenyl,p-methoxyphenacyl bromide,4'-methoxyphenacyl bromide,2-bromo-1-4-methoxyphenyl ethan-1-one,4-methoxyphenacyl bromide,bromomethyl 4-methoxyphenyl ketone,alpha-bromo-4-methoxyacetophenone,2-bromo-4-methoxyacetophenone PubChem CID: 4965 IUPAC Name: 2-bromo-1-(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(=O)CBr
| PubChem CID | 4965 |
|---|---|
| CAS | 2632-13-5 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00000201 |
| SMILES | COC1=CC=C(C=C1)C(=O)CBr |
| Synonym | 2-bromo-4'-methoxyacetophenone,2-bromo-1-4-methoxyphenyl ethanone,ethanone, 2-bromo-1-4-methoxyphenyl,p-methoxyphenacyl bromide,4'-methoxyphenacyl bromide,2-bromo-1-4-methoxyphenyl ethan-1-one,4-methoxyphenacyl bromide,bromomethyl 4-methoxyphenyl ketone,alpha-bromo-4-methoxyacetophenone,2-bromo-4-methoxyacetophenone |
| IUPAC Name | 2-bromo-1-(4-methoxyphenyl)ethanone |
| InChI Key | XQJAHBHCLXUGEP-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
4-Hydroxybenzaldehyde, 98%
CAS: 123-08-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00006939 InChI Key: RGHHSNMVTDWUBI-UHFFFAOYSA-N Synonym: p-hydroxybenzaldehyde,4-formylphenol,p-formylphenol,p-oxybenzaldehyde,benzaldehyde, 4-hydroxy,parahydroxybenzaldehyde,benzaldehyde, p-hydroxy,4-hydroxy-benzaldehyde,usaf m-6,4-hydroxy benzaldehyde PubChem CID: 126 ChEBI: CHEBI:17597 IUPAC Name: 4-hydroxybenzaldehyde SMILES: C1=CC(=CC=C1C=O)O
| PubChem CID | 126 |
|---|---|
| CAS | 123-08-0 |
| Molecular Weight (g/mol) | 122.123 |
| ChEBI | CHEBI:17597 |
| MDL Number | MFCD00006939 |
| SMILES | C1=CC(=CC=C1C=O)O |
| Synonym | p-hydroxybenzaldehyde,4-formylphenol,p-formylphenol,p-oxybenzaldehyde,benzaldehyde, 4-hydroxy,parahydroxybenzaldehyde,benzaldehyde, p-hydroxy,4-hydroxy-benzaldehyde,usaf m-6,4-hydroxy benzaldehyde |
| IUPAC Name | 4-hydroxybenzaldehyde |
| InChI Key | RGHHSNMVTDWUBI-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
2',4'-Dihydroxyacetophenone, 98%
CAS: 89-84-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002279 InChI Key: SULYEHHGGXARJS-UHFFFAOYSA-N Synonym: 2',4'-dihydroxyacetophenone,2,4-dihydroxyacetophenone,1-2,4-dihydroxyphenyl ethanone,resacetophenone,4-acetylresorcinol,resoacetophenone,ethanone, 1-2,4-dihydroxyphenyl,1-acetyl-2,4-dihydroxybenzene,resorcinol, 4-acetyl,1-2,4-dihydroxyphenyl ethan-1-one PubChem CID: 6990 ChEBI: CHEBI:18414 SMILES: CC(=O)C1=CC=C(O)C=C1O
| PubChem CID | 6990 |
|---|---|
| CAS | 89-84-9 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:18414 |
| MDL Number | MFCD00002279 |
| SMILES | CC(=O)C1=CC=C(O)C=C1O |
| Synonym | 2',4'-dihydroxyacetophenone,2,4-dihydroxyacetophenone,1-2,4-dihydroxyphenyl ethanone,resacetophenone,4-acetylresorcinol,resoacetophenone,ethanone, 1-2,4-dihydroxyphenyl,1-acetyl-2,4-dihydroxybenzene,resorcinol, 4-acetyl,1-2,4-dihydroxyphenyl ethan-1-one |
| InChI Key | SULYEHHGGXARJS-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
cis-1,2-Cyclopentanediol, 98%
CAS: 5057-98-7 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00134192 InChI Key: VCVOSERVUCJNPR-SYDPRGILSA-N Synonym: cis-1,2-cyclopentanediol,cis-cyclopentane-1,2-diol,cis-1,2-dihydroxycyclopentane,1r,2s-cyclopentane-1,2-diol,1s,2r cyclopentane-1,2-diol,cis-1,2-cyclopentandiol,1,2-cis-cyclopentanediol,cis-1,2-cyclopen-tanediol,cis-cyclopenten-1,2-diol,1alpha,2alpha-cyclopentanediol PubChem CID: 2733293 IUPAC Name: (1R,2S)-cyclopentane-1,2-diol SMILES: C1CC(C(C1)O)O
| PubChem CID | 2733293 |
|---|---|
| CAS | 5057-98-7 |
| Molecular Weight (g/mol) | 102.13 |
| MDL Number | MFCD00134192 |
| SMILES | C1CC(C(C1)O)O |
| Synonym | cis-1,2-cyclopentanediol,cis-cyclopentane-1,2-diol,cis-1,2-dihydroxycyclopentane,1r,2s-cyclopentane-1,2-diol,1s,2r cyclopentane-1,2-diol,cis-1,2-cyclopentandiol,1,2-cis-cyclopentanediol,cis-1,2-cyclopen-tanediol,cis-cyclopenten-1,2-diol,1alpha,2alpha-cyclopentanediol |
| IUPAC Name | (1R,2S)-cyclopentane-1,2-diol |
| InChI Key | VCVOSERVUCJNPR-SYDPRGILSA-N |
| Molecular Formula | C5H10O2 |
4-Penten-1-ol, 99%
CAS: 821-09-0 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00002975 InChI Key: LQAVWYMTUMSFBE-UHFFFAOYSA-N Synonym: 4-penten-1-ol,4-pentenol,4-pentenyl alcohol,2-allylethyl alcohol,unii-w0558tqc6f,4-pentene-1-ol,4-pentenol-1,4-penten-1ol,4penten-1-ol,5-hydroxy-1-pentene PubChem CID: 13181 IUPAC Name: pent-4-en-1-ol SMILES: C=CCCCO
| PubChem CID | 13181 |
|---|---|
| CAS | 821-09-0 |
| Molecular Weight (g/mol) | 86.13 |
| MDL Number | MFCD00002975 |
| SMILES | C=CCCCO |
| Synonym | 4-penten-1-ol,4-pentenol,4-pentenyl alcohol,2-allylethyl alcohol,unii-w0558tqc6f,4-pentene-1-ol,4-pentenol-1,4-penten-1ol,4penten-1-ol,5-hydroxy-1-pentene |
| IUPAC Name | pent-4-en-1-ol |
| InChI Key | LQAVWYMTUMSFBE-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
2,3-Dihydroxybenzaldehyde, 97%
CAS: 24677-78-9 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00003324 InChI Key: IXWOUPGDGMCKGT-UHFFFAOYSA-N Synonym: o-pyrocatechualdehyde,5,6-dihydroxybenzaldehyde,benzaldehyde, 2,3-dihydroxy,benzaldehyde, dihydroxy,2,3-dihydroxybenzaldehyde,dihydroxybenzaldehyde,pubchem6561,acmc-1clux,2,3-dihydroxy benzaldehyde,2,3-dihydroxy-benzaldehyde PubChem CID: 90579 ChEBI: CHEBI:50197 IUPAC Name: 2,3-dihydroxybenzaldehyde SMILES: C1=CC(=C(C(=C1)O)O)C=O
| PubChem CID | 90579 |
|---|---|
| CAS | 24677-78-9 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:50197 |
| MDL Number | MFCD00003324 |
| SMILES | C1=CC(=C(C(=C1)O)O)C=O |
| Synonym | o-pyrocatechualdehyde,5,6-dihydroxybenzaldehyde,benzaldehyde, 2,3-dihydroxy,benzaldehyde, dihydroxy,2,3-dihydroxybenzaldehyde,dihydroxybenzaldehyde,pubchem6561,acmc-1clux,2,3-dihydroxy benzaldehyde,2,3-dihydroxy-benzaldehyde |
| IUPAC Name | 2,3-dihydroxybenzaldehyde |
| InChI Key | IXWOUPGDGMCKGT-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
Titanium(IV) n-butoxide, 98+%
CAS: 5593-70-4 Molecular Formula: C16H36O4Ti Molecular Weight (g/mol): 340.35 MDL Number: MFCD00009433 InChI Key: FPCJKVGGYOAWIZ-UHFFFAOYSA-N Synonym: butyl titanate,butan-1-ol; titanium,titanium n-butoxide,tetrabutyl orthotitanate,tetrabutyl titanate,1-butanol; titanium,tetra butyl orthotitanate,tetrabutyl ortho-titanate PubChem CID: 25203927 IUPAC Name: butan-1-ol;titanium SMILES: CCCCO.CCCCO.CCCCO.CCCCO.[Ti]
| PubChem CID | 25203927 |
|---|---|
| CAS | 5593-70-4 |
| Molecular Weight (g/mol) | 340.35 |
| MDL Number | MFCD00009433 |
| SMILES | CCCCO.CCCCO.CCCCO.CCCCO.[Ti] |
| Synonym | butyl titanate,butan-1-ol; titanium,titanium n-butoxide,tetrabutyl orthotitanate,tetrabutyl titanate,1-butanol; titanium,tetra butyl orthotitanate,tetrabutyl ortho-titanate |
| IUPAC Name | butan-1-ol;titanium |
| InChI Key | FPCJKVGGYOAWIZ-UHFFFAOYSA-N |
| Molecular Formula | C16H36O4Ti |
2',4'-Dihydroxyacetophenone, 98%
CAS: 89-84-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002279 InChI Key: SULYEHHGGXARJS-UHFFFAOYSA-N Synonym: 2',4'-dihydroxyacetophenone,2,4-dihydroxyacetophenone,1-2,4-dihydroxyphenyl ethanone,resacetophenone,4-acetylresorcinol,resoacetophenone,ethanone, 1-2,4-dihydroxyphenyl,1-acetyl-2,4-dihydroxybenzene,resorcinol, 4-acetyl,1-2,4-dihydroxyphenyl ethan-1-one PubChem CID: 6990 ChEBI: CHEBI:18414 IUPAC Name: 1-(2,4-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=CC=C(O)C=C1O
| PubChem CID | 6990 |
|---|---|
| CAS | 89-84-9 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:18414 |
| MDL Number | MFCD00002279 |
| SMILES | CC(=O)C1=CC=C(O)C=C1O |
| Synonym | 2',4'-dihydroxyacetophenone,2,4-dihydroxyacetophenone,1-2,4-dihydroxyphenyl ethanone,resacetophenone,4-acetylresorcinol,resoacetophenone,ethanone, 1-2,4-dihydroxyphenyl,1-acetyl-2,4-dihydroxybenzene,resorcinol, 4-acetyl,1-2,4-dihydroxyphenyl ethan-1-one |
| IUPAC Name | 1-(2,4-dihydroxyphenyl)ethanone |
| InChI Key | SULYEHHGGXARJS-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Syringaldehyde, 98+%
CAS: 134-96-3 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00006943 InChI Key: KCDXJAYRVLXPFO-UHFFFAOYSA-N Synonym: syringaldehyde,3,5-dimethoxy-4-hydroxybenzaldehyde,syringic aldehyde,syringylaldehyde,syringealdehyde,benzaldehyde, 4-hydroxy-3,5-dimethoxy,gallaldehyde 3,5-dimethyl ether,3,5-dimethoxy-4-hydroxybenzene carbonal,4-hydroxy-3,5-dimethoxy-benzaldehyde,springaldehyde PubChem CID: 8655 ChEBI: CHEBI:67380 IUPAC Name: 4-hydroxy-3,5-dimethoxybenzaldehyde SMILES: COC1=CC(C=O)=CC(OC)=C1O
| PubChem CID | 8655 |
|---|---|
| CAS | 134-96-3 |
| Molecular Weight (g/mol) | 182.18 |
| ChEBI | CHEBI:67380 |
| MDL Number | MFCD00006943 |
| SMILES | COC1=CC(C=O)=CC(OC)=C1O |
| Synonym | syringaldehyde,3,5-dimethoxy-4-hydroxybenzaldehyde,syringic aldehyde,syringylaldehyde,syringealdehyde,benzaldehyde, 4-hydroxy-3,5-dimethoxy,gallaldehyde 3,5-dimethyl ether,3,5-dimethoxy-4-hydroxybenzene carbonal,4-hydroxy-3,5-dimethoxy-benzaldehyde,springaldehyde |
| IUPAC Name | 4-hydroxy-3,5-dimethoxybenzaldehyde |
| InChI Key | KCDXJAYRVLXPFO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
15-Crown-5, 98%
CAS: 33100-27-5 Molecular Formula: C10H20O5 Molecular Weight (g/mol): 220.265 MDL Number: MFCD00005110 InChI Key: VFTFKUDGYRBSAL-UHFFFAOYSA-N Synonym: 15-crown-5,15-crown-5 ether,15-crown 5-ether,1,4,10,13-pentaoxacyclopentadecane,ccris 3586,15-crown 5,crown ether 15-crown-5,5-19-12-00252 beilstein handbook reference,ksc917c1b PubChem CID: 36336 ChEBI: CHEBI:32401 IUPAC Name: 1,4,7,10,13-pentaoxacyclopentadecane SMILES: C1COCCOCCOCCOCCO1
| PubChem CID | 36336 |
|---|---|
| CAS | 33100-27-5 |
| Molecular Weight (g/mol) | 220.265 |
| ChEBI | CHEBI:32401 |
| MDL Number | MFCD00005110 |
| SMILES | C1COCCOCCOCCOCCO1 |
| Synonym | 15-crown-5,15-crown-5 ether,15-crown 5-ether,1,4,10,13-pentaoxacyclopentadecane,ccris 3586,15-crown 5,crown ether 15-crown-5,5-19-12-00252 beilstein handbook reference,ksc917c1b |
| IUPAC Name | 1,4,7,10,13-pentaoxacyclopentadecane |
| InChI Key | VFTFKUDGYRBSAL-UHFFFAOYSA-N |
| Molecular Formula | C10H20O5 |
Tetraethylene glycol dimethyl ether, 98+%
CAS: 143-24-8 Molecular Formula: C10H22O5 Molecular Weight (g/mol): 222.28 MDL Number: MFCD00008505 InChI Key: ZUHZGEOKBKGPSW-UHFFFAOYSA-N Synonym: tetraglyme,tetraethylene glycol dimethyl ether,2,5,8,11,14-pentaoxapentadecane,dimethoxytetraglycol,glyme 5,ansul ether 181at,dimethoxytetraethylene glycol,nissan uniox mm 200,bis 2-2-methoxyethoxy ethyl ether,methyltetraglyme200 PubChem CID: 8925 ChEBI: CHEBI:46785 IUPAC Name: 1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane SMILES: COCCOCCOCCOCCOC
| PubChem CID | 8925 |
|---|---|
| CAS | 143-24-8 |
| Molecular Weight (g/mol) | 222.28 |
| ChEBI | CHEBI:46785 |
| MDL Number | MFCD00008505 |
| SMILES | COCCOCCOCCOCCOC |
| Synonym | tetraglyme,tetraethylene glycol dimethyl ether,2,5,8,11,14-pentaoxapentadecane,dimethoxytetraglycol,glyme 5,ansul ether 181at,dimethoxytetraethylene glycol,nissan uniox mm 200,bis 2-2-methoxyethoxy ethyl ether,methyltetraglyme200 |
| IUPAC Name | 1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane |
| InChI Key | ZUHZGEOKBKGPSW-UHFFFAOYSA-N |
| Molecular Formula | C10H22O5 |
3-Methyl-5-phenyl-4-isoxazolecarbaldehyde, 95%, Thermo Scientific™
CAS: 89479-66-3 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.198 MDL Number: MFCD03086122 InChI Key: IZULDLZFUWWFHF-UHFFFAOYSA-N Synonym: 3-methyl-5-phenyl-4-isoxazolecarbaldehyde,3-methyl-5-phenylisoxazole-4-carbaldehyde,3-methyl-5-phenyl-isoxazole-4-carbaldehyde,4-isoxazolecarboxaldehyde,3-methyl-5-phenyl,acmc-20e4b4,4-formyl-3-methyl-5-phenylisoxazole,3-methyl-5-phenyl-4-isoxazolecarboxaldehyde PubChem CID: 2776516 IUPAC Name: 3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde SMILES: CC1=NOC(=C1C=O)C2=CC=CC=C2
| PubChem CID | 2776516 |
|---|---|
| CAS | 89479-66-3 |
| Molecular Weight (g/mol) | 187.198 |
| MDL Number | MFCD03086122 |
| SMILES | CC1=NOC(=C1C=O)C2=CC=CC=C2 |
| Synonym | 3-methyl-5-phenyl-4-isoxazolecarbaldehyde,3-methyl-5-phenylisoxazole-4-carbaldehyde,3-methyl-5-phenyl-isoxazole-4-carbaldehyde,4-isoxazolecarboxaldehyde,3-methyl-5-phenyl,acmc-20e4b4,4-formyl-3-methyl-5-phenylisoxazole,3-methyl-5-phenyl-4-isoxazolecarboxaldehyde |
| IUPAC Name | 3-methyl-5-phenyl-1,2-oxazole-4-carbaldehyde |
| InChI Key | IZULDLZFUWWFHF-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO2 |