Organooxygen compounds
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Diethyl Isopropylmalonate 98.0+%, TCI America™
CAS: 759-36-4 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00040491 InChI Key: BYQFBFWERHXONI-UHFFFAOYSA-N Synonym: diethyl isopropylmalonate,diethyl 2-isopropylmalonate,isopropyl diethyl malonate,1,3-diethyl 2-propan-2-yl propanedioate,diethylisopropylmalonate,isopropylmalonic acid diethyl ester,propanedioic acid, 1-methylethyl-, diethyl ester,ethyl isopropylmalonate,1,3-diethyl 2-isopropylpropanedioate,2-isopropyl-malonic acid diethyl ester PubChem CID: 12966 IUPAC Name: 1,3-diethyl 2-(propan-2-yl)propanedioate SMILES: CCOC(=O)C(C(C)C)C(=O)OCC
| PubChem CID | 12966 |
|---|---|
| CAS | 759-36-4 |
| Molecular Weight (g/mol) | 202.25 |
| MDL Number | MFCD00040491 |
| SMILES | CCOC(=O)C(C(C)C)C(=O)OCC |
| Synonym | diethyl isopropylmalonate,diethyl 2-isopropylmalonate,isopropyl diethyl malonate,1,3-diethyl 2-propan-2-yl propanedioate,diethylisopropylmalonate,isopropylmalonic acid diethyl ester,propanedioic acid, 1-methylethyl-, diethyl ester,ethyl isopropylmalonate,1,3-diethyl 2-isopropylpropanedioate,2-isopropyl-malonic acid diethyl ester |
| IUPAC Name | 1,3-diethyl 2-(propan-2-yl)propanedioate |
| InChI Key | BYQFBFWERHXONI-UHFFFAOYSA-N |
| Molecular Formula | C10H18O4 |
(-)-2,3-O-Isopropylidene-D-threitol 98.0+%, TCI America™
CAS: 73346-74-4 Molecular Formula: C7H14O4 Molecular Weight (g/mol): 162.185 MDL Number: MFCD00009761 InChI Key: INVRLGIKFANLFP-PHDIDXHHSA-N Synonym: --2,3-o-isopropylidene-d-threitol,2,3-o-isopropylidene-d-threitol,4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-diyl dimethanol,2-3-o-isopropylidene-d-threitol,4r,5r---2,2-dimethyl-1,3-dioxolane-4,5-dimethanol,trans-4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-diyl dimethanol,4r,5r-5-hydroxymethyl-2,2-dimethyl-1,3-dioxolan-4-yl methanol,4r,5r-4,5-bis hydroxymethyl-2,2-dimethyl-1,3-dioxolane,pubchem6768 PubChem CID: 785244 IUPAC Name: [(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol SMILES: CC1(OC(C(O1)CO)CO)C
| PubChem CID | 785244 |
|---|---|
| CAS | 73346-74-4 |
| Molecular Weight (g/mol) | 162.185 |
| MDL Number | MFCD00009761 |
| SMILES | CC1(OC(C(O1)CO)CO)C |
| Synonym | --2,3-o-isopropylidene-d-threitol,2,3-o-isopropylidene-d-threitol,4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-diyl dimethanol,2-3-o-isopropylidene-d-threitol,4r,5r---2,2-dimethyl-1,3-dioxolane-4,5-dimethanol,trans-4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-diyl dimethanol,4r,5r-5-hydroxymethyl-2,2-dimethyl-1,3-dioxolan-4-yl methanol,4r,5r-4,5-bis hydroxymethyl-2,2-dimethyl-1,3-dioxolane,pubchem6768 |
| IUPAC Name | [(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol |
| InChI Key | INVRLGIKFANLFP-PHDIDXHHSA-N |
| Molecular Formula | C7H14O4 |
Isochroman 98.0+%, TCI America™
CAS: 493-05-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00006913 InChI Key: HEBMCVBCEDMUOF-UHFFFAOYSA-N Synonym: isochroman,isochromane,3,4-dihydro-1h-2-benzopyran,1h-2-benzopyran, 3,4-dihydro,3,4-dihydro-1h-benzo c pyran,pubchem20553,acmc-209kfu,isochroman 10g,ksc237m1l PubChem CID: 96266 ChEBI: CHEBI:33225 IUPAC Name: 3,4-dihydro-1H-2-benzopyran SMILES: C1CC2=CC=CC=C2CO1
| PubChem CID | 96266 |
|---|---|
| CAS | 493-05-0 |
| Molecular Weight (g/mol) | 134.18 |
| ChEBI | CHEBI:33225 |
| MDL Number | MFCD00006913 |
| SMILES | C1CC2=CC=CC=C2CO1 |
| Synonym | isochroman,isochromane,3,4-dihydro-1h-2-benzopyran,1h-2-benzopyran, 3,4-dihydro,3,4-dihydro-1h-benzo c pyran,pubchem20553,acmc-209kfu,isochroman 10g,ksc237m1l |
| IUPAC Name | 3,4-dihydro-1H-2-benzopyran |
| InChI Key | HEBMCVBCEDMUOF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
N,N-Dimethylacetoacetamide 97.0+%, TCI America™
CAS: 2044-64-6 Molecular Formula: C6H11NO2 Molecular Weight (g/mol): 129.159 MDL Number: MFCD00038243 InChI Key: YPEWWOUWRRQBAX-UHFFFAOYSA-N Synonym: n,n-dimethylacetoacetamide,butanamide, n,n-dimethyl-3-oxo,n,n-dimethyl-3-oxobutyramide,acetylacetamide, n,n-dimethyl,unii-7e2l0oaa4k,acetoacetamide, n,n-dimethyl,dimethylamid kyseliny acetoctove,dimethyl acetoacetamide,n,n-dimethyl acetoacetamide,nn-dimethylacetoacetamide PubChem CID: 16278 IUPAC Name: N,N-dimethyl-3-oxobutanamide SMILES: CC(=O)CC(=O)N(C)C
| PubChem CID | 16278 |
|---|---|
| CAS | 2044-64-6 |
| Molecular Weight (g/mol) | 129.159 |
| MDL Number | MFCD00038243 |
| SMILES | CC(=O)CC(=O)N(C)C |
| Synonym | n,n-dimethylacetoacetamide,butanamide, n,n-dimethyl-3-oxo,n,n-dimethyl-3-oxobutyramide,acetylacetamide, n,n-dimethyl,unii-7e2l0oaa4k,acetoacetamide, n,n-dimethyl,dimethylamid kyseliny acetoctove,dimethyl acetoacetamide,n,n-dimethyl acetoacetamide,nn-dimethylacetoacetamide |
| IUPAC Name | N,N-dimethyl-3-oxobutanamide |
| InChI Key | YPEWWOUWRRQBAX-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO2 |
5-Norbornene-2,2-dimethanol 98.0+%, TCI America™
CAS: 6707-12-6 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.21 MDL Number: MFCD00167595 InChI Key: DSHXMENPUICESR-UHFFFAOYNA-N Synonym: Bicyclo[2.2.1]hept-5-ene-2,2-dimethanol, 2,2-Bis(hydroxymethyl)-5-norbornene PubChem CID: 110917 IUPAC Name: [5-(hydroxymethyl)-5-bicyclo[2.2.1]hept-2-enyl]methanol SMILES: C1C2CC(C1C=C2)(CO)CO
| PubChem CID | 110917 |
|---|---|
| CAS | 6707-12-6 |
| Molecular Weight (g/mol) | 154.21 |
| MDL Number | MFCD00167595 |
| SMILES | C1C2CC(C1C=C2)(CO)CO |
| Synonym | Bicyclo[2.2.1]hept-5-ene-2,2-dimethanol, 2,2-Bis(hydroxymethyl)-5-norbornene |
| IUPAC Name | [5-(hydroxymethyl)-5-bicyclo[2.2.1]hept-2-enyl]methanol |
| InChI Key | DSHXMENPUICESR-UHFFFAOYNA-N |
| Molecular Formula | C9H14O2 |
3-Fluoro-4-hydroxybenzaldehyde 98.0+%, TCI America™
CAS: 405-05-0 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 MDL Number: MFCD00016626 InChI Key: QSBHJTCAPWOIIE-UHFFFAOYSA-N Synonym: 3-fluoro-4-hydroxy-benzaldehyde,benzaldehyde, 3-fluoro-4-hydroxy,4-hydroxy-3-fluorobenzaldehyde,pubchem1443,acmc-1acq8,ksc497m8t,3-fluoro-4 hydroxybenzaldehyde,4-hydroxy-3-fluoro-benzaldehyde,#,3-fluoranyl-4-oxidanyl-benzaldehyde PubChem CID: 587250 IUPAC Name: 3-fluoro-4-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)O
| PubChem CID | 587250 |
|---|---|
| CAS | 405-05-0 |
| Molecular Weight (g/mol) | 140.113 |
| MDL Number | MFCD00016626 |
| SMILES | C1=CC(=C(C=C1C=O)F)O |
| Synonym | 3-fluoro-4-hydroxy-benzaldehyde,benzaldehyde, 3-fluoro-4-hydroxy,4-hydroxy-3-fluorobenzaldehyde,pubchem1443,acmc-1acq8,ksc497m8t,3-fluoro-4 hydroxybenzaldehyde,4-hydroxy-3-fluoro-benzaldehyde,#,3-fluoranyl-4-oxidanyl-benzaldehyde |
| IUPAC Name | 3-fluoro-4-hydroxybenzaldehyde |
| InChI Key | QSBHJTCAPWOIIE-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
3-Mercapto-3-methyl-1-butanol 98.0+%, TCI America™
CAS: 34300-94-2 Molecular Formula: C5H12OS Molecular Weight (g/mol): 120.21 MDL Number: MFCD00101881 InChI Key: GBCGIJAYTBMFHI-UHFFFAOYSA-N PubChem CID: 520682 IUPAC Name: 3-methyl-3-sulfanylbutan-1-ol SMILES: CC(C)(S)CCO
| PubChem CID | 520682 |
|---|---|
| CAS | 34300-94-2 |
| Molecular Weight (g/mol) | 120.21 |
| MDL Number | MFCD00101881 |
| SMILES | CC(C)(S)CCO |
| IUPAC Name | 3-methyl-3-sulfanylbutan-1-ol |
| InChI Key | GBCGIJAYTBMFHI-UHFFFAOYSA-N |
| Molecular Formula | C5H12OS |
L-(+)-Fructose 95.0+%, TCI America™
CAS: 7776-48-9 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD05662378 InChI Key: BJHIKXHVCXFQLS-FUTKDDECSA-N PubChem CID: 5460024 ChEBI: CHEBI:37724 IUPAC Name: (3R,4S,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
| PubChem CID | 5460024 |
|---|---|
| CAS | 7776-48-9 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:37724 |
| MDL Number | MFCD05662378 |
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| IUPAC Name | (3R,4S,5S)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-FUTKDDECSA-N |
| Molecular Formula | C6H12O6 |
2-Methoxythiazole 98.0+%, TCI America™
CAS: 14542-13-3 Molecular Formula: C4H5NOS Molecular Weight (g/mol): 115.15 MDL Number: MFCD01631143 InChI Key: MJJRDTKNLLMJDJ-UHFFFAOYSA-N Synonym: 2-methoxythiazole,thiazole, 2-methoxy,2-methoxy thiazole,acmc-209cuy,#,ksc174c3j,2-methoxy-1,3-thiazole PubChem CID: 575451 IUPAC Name: 2-methoxy-1,3-thiazole SMILES: COC1=NC=CS1
| PubChem CID | 575451 |
|---|---|
| CAS | 14542-13-3 |
| Molecular Weight (g/mol) | 115.15 |
| MDL Number | MFCD01631143 |
| SMILES | COC1=NC=CS1 |
| Synonym | 2-methoxythiazole,thiazole, 2-methoxy,2-methoxy thiazole,acmc-209cuy,#,ksc174c3j,2-methoxy-1,3-thiazole |
| IUPAC Name | 2-methoxy-1,3-thiazole |
| InChI Key | MJJRDTKNLLMJDJ-UHFFFAOYSA-N |
| Molecular Formula | C4H5NOS |
Ethyl 3,4-Bis(2-methoxyethoxy)benzoate 98.0+%, TCI America™
CAS: 183322-16-9 Molecular Formula: C15H22O6 Molecular Weight (g/mol): 298.335 MDL Number: MFCD01935284 InChI Key: VGFZRAVMWXHEJB-UHFFFAOYSA-N Synonym: 3,4-Bis(2-methoxyethoxy)benzoic Acid Ethyl Ester PubChem CID: 2808992 IUPAC Name: ethyl 3,4-bis(2-methoxyethoxy)benzoate SMILES: CCOC(=O)C1=CC(=C(C=C1)OCCOC)OCCOC
| PubChem CID | 2808992 |
|---|---|
| CAS | 183322-16-9 |
| Molecular Weight (g/mol) | 298.335 |
| MDL Number | MFCD01935284 |
| SMILES | CCOC(=O)C1=CC(=C(C=C1)OCCOC)OCCOC |
| Synonym | 3,4-Bis(2-methoxyethoxy)benzoic Acid Ethyl Ester |
| IUPAC Name | ethyl 3,4-bis(2-methoxyethoxy)benzoate |
| InChI Key | VGFZRAVMWXHEJB-UHFFFAOYSA-N |
| Molecular Formula | C15H22O6 |
| PubChem CID | 2763087 |
|---|---|
| CAS | 850991-69-4 |
| Molecular Weight (g/mol) | 152.944 |
| MDL Number | MFCD03425977 |
| Color | White |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC(=CN=C1)OC)(O)O |
| TSCA | No |
| IUPAC Name | (5-methoxypyridin-3-yl)boronic acid |
| InChI Key | ISDFOFZTZUILPE-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO3 |
| Formula Weight | 152.94 |
Ethylene Glycol Dibutyl Ether 98.0+%, TCI America™
CAS: 112-48-1 Molecular Formula: C10H22O2 Molecular Weight (g/mol): 174.28 MDL Number: MFCD00048785 InChI Key: GDXHBFHOEYVPED-UHFFFAOYSA-N Synonym: 1,2-Dibutoxyethane, Dibutyl Cellosolve, Dibutyl Glycol PubChem CID: 8188 IUPAC Name: 1-(2-butoxyethoxy)butane SMILES: CCCCOCCOCCCC
| PubChem CID | 8188 |
|---|---|
| CAS | 112-48-1 |
| Molecular Weight (g/mol) | 174.28 |
| MDL Number | MFCD00048785 |
| SMILES | CCCCOCCOCCCC |
| Synonym | 1,2-Dibutoxyethane, Dibutyl Cellosolve, Dibutyl Glycol |
| IUPAC Name | 1-(2-butoxyethoxy)butane |
| InChI Key | GDXHBFHOEYVPED-UHFFFAOYSA-N |
| Molecular Formula | C10H22O2 |
2-(p-Tolyl)ethanol 98.0+%, TCI America™
CAS: 699-02-5 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002904 InChI Key: DAVFJRVIVZOKKS-UHFFFAOYSA-N Synonym: 2-4-methylphenyl ethanol,2-p-tolyl ethanol,4-methylphenethyl alcohol,benzeneethanol, 4-methyl,2-p-tolylethanol,p-methylphenethyl alcohol,4-methylbenzeneethanol,2-4-methylphenyl ethan-1-ol,p-methylphenylethyl alcohol,2-p-methylphenyl ethanol PubChem CID: 95294 IUPAC Name: 2-(4-methylphenyl)ethanol SMILES: CC1=CC=C(C=C1)CCO
| PubChem CID | 95294 |
|---|---|
| CAS | 699-02-5 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00002904 |
| SMILES | CC1=CC=C(C=C1)CCO |
| Synonym | 2-4-methylphenyl ethanol,2-p-tolyl ethanol,4-methylphenethyl alcohol,benzeneethanol, 4-methyl,2-p-tolylethanol,p-methylphenethyl alcohol,4-methylbenzeneethanol,2-4-methylphenyl ethan-1-ol,p-methylphenylethyl alcohol,2-p-methylphenyl ethanol |
| IUPAC Name | 2-(4-methylphenyl)ethanol |
| InChI Key | DAVFJRVIVZOKKS-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
2,4-Diamino-6-methoxy-1,3,5-triazine, TCI America™
CAS: 2827-45-4 Molecular Formula: C4H7N5O Molecular Weight (g/mol): 141.13 MDL Number: MFCD00191340 InChI Key: XVMFICQRQHBOOT-UHFFFAOYSA-N PubChem CID: 17803 ChEBI: CHEBI:38930 IUPAC Name: 6-methoxy-1,3,5-triazine-2,4-diamine SMILES: COC1=NC(N)=NC(N)=N1
| PubChem CID | 17803 |
|---|---|
| CAS | 2827-45-4 |
| Molecular Weight (g/mol) | 141.13 |
| ChEBI | CHEBI:38930 |
| MDL Number | MFCD00191340 |
| SMILES | COC1=NC(N)=NC(N)=N1 |
| IUPAC Name | 6-methoxy-1,3,5-triazine-2,4-diamine |
| InChI Key | XVMFICQRQHBOOT-UHFFFAOYSA-N |
| Molecular Formula | C4H7N5O |
Dibenzothiophene-4-carboxaldehyde 98.0+%, TCI America™
CAS: 23985-81-1 Molecular Formula: C13H8OS Molecular Weight (g/mol): 212.266 MDL Number: MFCD00961967 InChI Key: XESZAOMRYLSHOM-UHFFFAOYSA-N Synonym: dibenzo b,d thiophene-4-carbaldehyde,dibenzothiophene-4-carboxaldehyde,dibenzo b,d thiophene-4-carboxaldehyde,8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene-6-carbaldehyde,4-dibenzothiophenecarboxaldehyde,benzo b benzo b thiophene-4-carbaldehyde,dibenzo b,d ?thiophene-?4-?carbaldehyde,8-thiatricyclo 7.4.0.0^ 2,7 trideca-1 13 ,2,4,6,9,11-hexaene-6-carbaldehyde,8-thiatricyclo 7.4.0.0 2 ,? trideca-1 13 ,2 7 ,3,5,9,11-hexaene-6-carbaldehyde PubChem CID: 641359 IUPAC Name: dibenzothiophene-4-carbaldehyde SMILES: C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C=O
| PubChem CID | 641359 |
|---|---|
| CAS | 23985-81-1 |
| Molecular Weight (g/mol) | 212.266 |
| MDL Number | MFCD00961967 |
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C=O |
| Synonym | dibenzo b,d thiophene-4-carbaldehyde,dibenzothiophene-4-carboxaldehyde,dibenzo b,d thiophene-4-carboxaldehyde,8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene-6-carbaldehyde,4-dibenzothiophenecarboxaldehyde,benzo b benzo b thiophene-4-carbaldehyde,dibenzo b,d ?thiophene-?4-?carbaldehyde,8-thiatricyclo 7.4.0.0^ 2,7 trideca-1 13 ,2,4,6,9,11-hexaene-6-carbaldehyde,8-thiatricyclo 7.4.0.0 2 ,? trideca-1 13 ,2 7 ,3,5,9,11-hexaene-6-carbaldehyde |
| IUPAC Name | dibenzothiophene-4-carbaldehyde |
| InChI Key | XESZAOMRYLSHOM-UHFFFAOYSA-N |
| Molecular Formula | C13H8OS |