Organooxygen compounds
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Pivalaldehyde 95.0+%, TCI America™
CAS: 630-19-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00006962 InChI Key: FJJYHTVHBVXEEQ-UHFFFAOYSA-N Synonym: trimethylacetaldehyde,pivalaldehyde,pivaldehyde,propanal, 2,2-dimethyl,neopentanal,pivalic aldehyde,2,2-dimethylpropionaldehyde,unii-ssc20260qw,trimethyl acetaldehyde,trimethylacetaldehyde pivaldehyde PubChem CID: 12417 IUPAC Name: 2,2-dimethylpropanal SMILES: CC(C)(C)C=O
| PubChem CID | 12417 |
|---|---|
| CAS | 630-19-3 |
| Molecular Weight (g/mol) | 86.13 |
| MDL Number | MFCD00006962 |
| SMILES | CC(C)(C)C=O |
| Synonym | trimethylacetaldehyde,pivalaldehyde,pivaldehyde,propanal, 2,2-dimethyl,neopentanal,pivalic aldehyde,2,2-dimethylpropionaldehyde,unii-ssc20260qw,trimethyl acetaldehyde,trimethylacetaldehyde pivaldehyde |
| IUPAC Name | 2,2-dimethylpropanal |
| InChI Key | FJJYHTVHBVXEEQ-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
3-Thiophenecarboxaldehyde 98.0+%, TCI America™
CAS: 498-62-4 Molecular Formula: C5H4OS Molecular Weight (g/mol): 112.146 MDL Number: MFCD00005466 InChI Key: RBIGKSZIQCTIJF-UHFFFAOYSA-N Synonym: 3-thiophenecarboxaldehyde,thiophene-3-carboxaldehyde,3-formylthiophene,3-thenaldehyde,3-formyl-thiophene,3-thiophenealdehyde,thiophene-3-aldehyde,3-thiophene carboxaldehyde,3-thiophenecarbaldehyde,3-thiophenaldehyde PubChem CID: 68135 ChEBI: CHEBI:87611 IUPAC Name: thiophene-3-carbaldehyde SMILES: C1=CSC=C1C=O
| PubChem CID | 68135 |
|---|---|
| CAS | 498-62-4 |
| Molecular Weight (g/mol) | 112.146 |
| ChEBI | CHEBI:87611 |
| MDL Number | MFCD00005466 |
| SMILES | C1=CSC=C1C=O |
| Synonym | 3-thiophenecarboxaldehyde,thiophene-3-carboxaldehyde,3-formylthiophene,3-thenaldehyde,3-formyl-thiophene,3-thiophenealdehyde,thiophene-3-aldehyde,3-thiophene carboxaldehyde,3-thiophenecarbaldehyde,3-thiophenaldehyde |
| IUPAC Name | thiophene-3-carbaldehyde |
| InChI Key | RBIGKSZIQCTIJF-UHFFFAOYSA-N |
| Molecular Formula | C5H4OS |
Tetraethylene Glycol 95.0+%, TCI America™
CAS: 112-60-7 Molecular Formula: C8H18O5 Molecular Weight (g/mol): 194.227 MDL Number: MFCD00002879 InChI Key: UWHCKJMYHZGTIT-UHFFFAOYSA-N Synonym: tetraethylene glycol,tetraglycol,2,2'-oxybis ethane-2,1-diyl bis oxy diethanol,hi-dry,carbitol, diethyl,3,6,9-trioxaundecane-1,11-diol,bis 2-2-hydroxyethoxy ethyl ether,ethanol, 2,2'-oxybis 2,1-ethanediyloxy bis,tetra ethylene glycol,hsdb 843 PubChem CID: 8200 ChEBI: CHEBI:44920 IUPAC Name: 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol SMILES: C(COCCOCCOCCO)O
| PubChem CID | 8200 |
|---|---|
| CAS | 112-60-7 |
| Molecular Weight (g/mol) | 194.227 |
| ChEBI | CHEBI:44920 |
| MDL Number | MFCD00002879 |
| SMILES | C(COCCOCCOCCO)O |
| Synonym | tetraethylene glycol,tetraglycol,2,2'-oxybis ethane-2,1-diyl bis oxy diethanol,hi-dry,carbitol, diethyl,3,6,9-trioxaundecane-1,11-diol,bis 2-2-hydroxyethoxy ethyl ether,ethanol, 2,2'-oxybis 2,1-ethanediyloxy bis,tetra ethylene glycol,hsdb 843 |
| IUPAC Name | 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol |
| InChI Key | UWHCKJMYHZGTIT-UHFFFAOYSA-N |
| Molecular Formula | C8H18O5 |
5-Bromo-2-furaldehyde 98.0+%, TCI America™
CAS: 1899-24-7 Molecular Formula: C5H3BrO2 Molecular Weight (g/mol): 174.98 MDL Number: MFCD00159501 InChI Key: WJTFHWXMITZNHS-UHFFFAOYSA-N Synonym: 5-bromo-2-furaldehyde,5-bromofurfural,5-bromo-2-furfural,5-bromofuran-2-carboxaldehyde,5-bromofurancarboxaldehyde,2-furancarboxaldehyde, 5-bromo,5-bromofuraldehyde,5-bromo-furan-2-carbaldehyde,2-furaldehyde, 5-bromo,5-bromo-furfural PubChem CID: 600328 IUPAC Name: 5-bromofuran-2-carbaldehyde SMILES: BrC1=CC=C(O1)C=O
| PubChem CID | 600328 |
|---|---|
| CAS | 1899-24-7 |
| Molecular Weight (g/mol) | 174.98 |
| MDL Number | MFCD00159501 |
| SMILES | BrC1=CC=C(O1)C=O |
| Synonym | 5-bromo-2-furaldehyde,5-bromofurfural,5-bromo-2-furfural,5-bromofuran-2-carboxaldehyde,5-bromofurancarboxaldehyde,2-furancarboxaldehyde, 5-bromo,5-bromofuraldehyde,5-bromo-furan-2-carbaldehyde,2-furaldehyde, 5-bromo,5-bromo-furfural |
| IUPAC Name | 5-bromofuran-2-carbaldehyde |
| InChI Key | WJTFHWXMITZNHS-UHFFFAOYSA-N |
| Molecular Formula | C5H3BrO2 |
Cyclohexanemethanol 98.0+%, TCI America™
CAS: 100-49-2 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.188 MDL Number: MFCD00001510 InChI Key: VSSAZBXXNIABDN-UHFFFAOYSA-N Synonym: cyclohexanemethanol,cyclohexylcarbinol,hexahydrobenzyl alcohol,cyclohexanecarbinol,methanol, cyclohexyl,cyclohexylmethyl alcohol,benzyl alcohol, hexahydro,usaf do-49,hydroxymethylcyclohexane,hydroxymethyl cyclohexane PubChem CID: 7507 IUPAC Name: cyclohexylmethanol SMILES: C1CCC(CC1)CO
| PubChem CID | 7507 |
|---|---|
| CAS | 100-49-2 |
| Molecular Weight (g/mol) | 114.188 |
| MDL Number | MFCD00001510 |
| SMILES | C1CCC(CC1)CO |
| Synonym | cyclohexanemethanol,cyclohexylcarbinol,hexahydrobenzyl alcohol,cyclohexanecarbinol,methanol, cyclohexyl,cyclohexylmethyl alcohol,benzyl alcohol, hexahydro,usaf do-49,hydroxymethylcyclohexane,hydroxymethyl cyclohexane |
| IUPAC Name | cyclohexylmethanol |
| InChI Key | VSSAZBXXNIABDN-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |
2-Methyl-1-propanol 99.0+%, TCI America™
CAS: 78-83-1 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.123 MDL Number: MFCD00004740 InChI Key: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N Synonym: 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol PubChem CID: 6560 ChEBI: CHEBI:46645 IUPAC Name: 2-methylpropan-1-ol SMILES: CC(C)CO
| PubChem CID | 6560 |
|---|---|
| CAS | 78-83-1 |
| Molecular Weight (g/mol) | 74.123 |
| ChEBI | CHEBI:46645 |
| MDL Number | MFCD00004740 |
| SMILES | CC(C)CO |
| Synonym | 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol |
| IUPAC Name | 2-methylpropan-1-ol |
| InChI Key | ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
| Molecular Formula | C4H10O |
1,2-Pentanediol 98.0+%, TCI America™
CAS: 5343-92-0 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00010736 InChI Key: WCVRQHFDJLLWFE-UHFFFAOYNA-N Synonym: 1,2-pentanediol,1,2-dihydroxypentane,1,2-pentanediol, 2r,acmc-20mbh5,acmc-1axdb,3-01-00-02191 beilstein handbook reference,ksc271i3n,wcvrqhfdjllwfe-uhfffaoysa PubChem CID: 93000 IUPAC Name: pentane-1,2-diol SMILES: CCCC(O)CO
| PubChem CID | 93000 |
|---|---|
| CAS | 5343-92-0 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00010736 |
| SMILES | CCCC(O)CO |
| Synonym | 1,2-pentanediol,1,2-dihydroxypentane,1,2-pentanediol, 2r,acmc-20mbh5,acmc-1axdb,3-01-00-02191 beilstein handbook reference,ksc271i3n,wcvrqhfdjllwfe-uhfffaoysa |
| IUPAC Name | pentane-1,2-diol |
| InChI Key | WCVRQHFDJLLWFE-UHFFFAOYNA-N |
| Molecular Formula | C5H12O2 |
Dibutyl Ether (stabilized with BHT) 99.0+%, TCI America™
CAS: 142-96-1 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.23 MDL Number: MFCD00009461 InChI Key: DURPTKYDGMDSBL-UHFFFAOYSA-N Synonym: di-n-butyl ether,butyl ether,dibutyl ether,butane, 1,1'-oxybis,n-butyl ether,dibutyl oxide,butyl oxide,ether butylique,1,1'-oxybis butane,di-n-butylether PubChem CID: 8909 IUPAC Name: 1-butoxybutane SMILES: CCCCOCCCC
| PubChem CID | 8909 |
|---|---|
| CAS | 142-96-1 |
| Molecular Weight (g/mol) | 130.23 |
| MDL Number | MFCD00009461 |
| SMILES | CCCCOCCCC |
| Synonym | di-n-butyl ether,butyl ether,dibutyl ether,butane, 1,1'-oxybis,n-butyl ether,dibutyl oxide,butyl oxide,ether butylique,1,1'-oxybis butane,di-n-butylether |
| IUPAC Name | 1-butoxybutane |
| InChI Key | DURPTKYDGMDSBL-UHFFFAOYSA-N |
| Molecular Formula | C8H18O |
Methyl 2-Hydroxyisobutyrate 99.5+%, TCI America™
CAS: 2110-78-3 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00004457 InChI Key: XYVQFUJDGOBPQI-UHFFFAOYSA-N PubChem CID: 75024 IUPAC Name: methyl 2-hydroxy-2-methylpropanoate SMILES: CC(C)(C(=O)OC)O
| PubChem CID | 75024 |
|---|---|
| CAS | 2110-78-3 |
| Molecular Weight (g/mol) | 118.132 |
| MDL Number | MFCD00004457 |
| SMILES | CC(C)(C(=O)OC)O |
| IUPAC Name | methyl 2-hydroxy-2-methylpropanoate |
| InChI Key | XYVQFUJDGOBPQI-UHFFFAOYSA-N |
| Molecular Formula | C5H10O3 |
Butyrophenone 99.0+%, TCI America™
CAS: 495-40-9 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.205 MDL Number: MFCD00009397 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) | 148.205 |
| MDL Number | MFCD00009397 |
| 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 |
Tetrahydrolinalool 98.0+%, TCI America™
CAS: 78-69-3 Molecular Formula: C10H22O Molecular Weight (g/mol): 158.285 MDL Number: MFCD00004482 InChI Key: DLHQZZUEERVIGQ-UHFFFAOYSA-N Synonym: tetrahydrolinalool,3,7-dimethyl-3-octanol,3-octanol, 3,7-dimethyl,linalool tetrahydride,2,6-dimethyl-6-octanol,3,7-dimethyloctanol-3,fema no. 3060,1-3,7-dimethyloctan-3-ol,dsstox_cid_9110,dsstox_rid_78670 PubChem CID: 6548 ChEBI: CHEBI:84242 IUPAC Name: 3,7-dimethyloctan-3-ol SMILES: CCC(C)(CCCC(C)C)O
| PubChem CID | 6548 |
|---|---|
| CAS | 78-69-3 |
| Molecular Weight (g/mol) | 158.285 |
| ChEBI | CHEBI:84242 |
| MDL Number | MFCD00004482 |
| SMILES | CCC(C)(CCCC(C)C)O |
| Synonym | tetrahydrolinalool,3,7-dimethyl-3-octanol,3-octanol, 3,7-dimethyl,linalool tetrahydride,2,6-dimethyl-6-octanol,3,7-dimethyloctanol-3,fema no. 3060,1-3,7-dimethyloctan-3-ol,dsstox_cid_9110,dsstox_rid_78670 |
| IUPAC Name | 3,7-dimethyloctan-3-ol |
| InChI Key | DLHQZZUEERVIGQ-UHFFFAOYSA-N |
| Molecular Formula | C10H22O |
Triethylene Glycol Monobutyl Ether 98.0+%, TCI America™
CAS: 143-22-6 Molecular Formula: C10H22O4 Molecular Weight (g/mol): 206.28 MDL Number: MFCD00020606 InChI Key: COBPKKZHLDDMTB-UHFFFAOYSA-N Synonym: triethylene glycol monobutyl ether,butoxytriglycol,dowanol tbat,butoxytriethylene glycol,poly-solv tb,triethylene glycol butyl ether,triglycol monobutyl ether,ethanol, 2-2-2-butoxyethoxy ethoxy,triethylene glycol mono-n-butyl ether,triethylene glycol n-butyl ether PubChem CID: 8923 IUPAC Name: 2-[2-(2-butoxyethoxy)ethoxy]ethan-1-ol SMILES: CCCCOCCOCCOCCO
| PubChem CID | 8923 |
|---|---|
| CAS | 143-22-6 |
| Molecular Weight (g/mol) | 206.28 |
| MDL Number | MFCD00020606 |
| SMILES | CCCCOCCOCCOCCO |
| Synonym | triethylene glycol monobutyl ether,butoxytriglycol,dowanol tbat,butoxytriethylene glycol,poly-solv tb,triethylene glycol butyl ether,triglycol monobutyl ether,ethanol, 2-2-2-butoxyethoxy ethoxy,triethylene glycol mono-n-butyl ether,triethylene glycol n-butyl ether |
| IUPAC Name | 2-[2-(2-butoxyethoxy)ethoxy]ethan-1-ol |
| InChI Key | COBPKKZHLDDMTB-UHFFFAOYSA-N |
| Molecular Formula | C10H22O4 |
D-Psicose 99.0+%, TCI America™
CAS: 551-68-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00083478 InChI Key: BJHIKXHVCXFQLS-PUFIMZNGSA-N Synonym: erythrohexulose,3r,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,pseudofructose,unii-qcc18lng3e,d-ribo-hex-2-ulose,qcc18lng3e,dl-psicose,ribo-2-hexulose,d-ribo-2-ketohexose,keto-d-psicose PubChem CID: 90008 ChEBI: CHEBI:27605 IUPAC Name: (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
| PubChem CID | 90008 |
|---|---|
| CAS | 551-68-8 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:27605 |
| MDL Number | MFCD00083478 |
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| Synonym | erythrohexulose,3r,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,pseudofructose,unii-qcc18lng3e,d-ribo-hex-2-ulose,qcc18lng3e,dl-psicose,ribo-2-hexulose,d-ribo-2-ketohexose,keto-d-psicose |
| IUPAC Name | (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-PUFIMZNGSA-N |
| Molecular Formula | C6H12O6 |
2-Hydroxy-4'-(2-hydroxyethoxy)-2-methylpropiophenone 98.0+%, TCI America™
CAS: 106797-53-9 Molecular Formula: C12H16O4 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00085267 InChI Key: GJKGAPPUXSSCFI-UHFFFAOYSA-N Synonym: 2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-1-propanone PubChem CID: 86266 IUPAC Name: 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one SMILES: CC(C)(O)C(=O)C1=CC=C(OCCO)C=C1
| PubChem CID | 86266 |
|---|---|
| CAS | 106797-53-9 |
| Molecular Weight (g/mol) | 224.26 |
| MDL Number | MFCD00085267 |
| SMILES | CC(C)(O)C(=O)C1=CC=C(OCCO)C=C1 |
| Synonym | 2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methyl-1-propanone |
| IUPAC Name | 2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one |
| InChI Key | GJKGAPPUXSSCFI-UHFFFAOYSA-N |
| Molecular Formula | C12H16O4 |
2-Ethylhexanal 95.0+%, TCI America™
CAS: 123-05-7 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00006987 InChI Key: LGYNIFWIKSEESD-UHFFFAOYSA-N Synonym: hexanal, 2-ethyl,2-ethylhexaldehyde,2-ethylhexylaldehyde,3-formylheptane,2-ethylcaproaldehyde,butylethylacetaldehyde,ethylbutylacetaldehyde,ethylhexaldehyde,alpha-ethylcaproaldehyde,butyl ethyl acetaldehyde PubChem CID: 31241 IUPAC Name: 2-ethylhexanal SMILES: CCCCC(CC)C=O
| PubChem CID | 31241 |
|---|---|
| CAS | 123-05-7 |
| Molecular Weight (g/mol) | 128.215 |
| MDL Number | MFCD00006987 |
| SMILES | CCCCC(CC)C=O |
| Synonym | hexanal, 2-ethyl,2-ethylhexaldehyde,2-ethylhexylaldehyde,3-formylheptane,2-ethylcaproaldehyde,butylethylacetaldehyde,ethylbutylacetaldehyde,ethylhexaldehyde,alpha-ethylcaproaldehyde,butyl ethyl acetaldehyde |
| IUPAC Name | 2-ethylhexanal |
| InChI Key | LGYNIFWIKSEESD-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |