Organooxygen compounds
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1,2-Cyclohexanediol (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 931-17-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00003861 InChI Key: PFURGBBHAOXLIO-UHFFFAOYSA-N Synonym: 1,2-cyclohexanediol,2-hydroxycyclohexanol,pyrocatechitol,1,2-dihydroxycyclohexane,brenzkatechin,1,2-benzenediol, hexahydro,brenzkatechin german,1,2-trans-cyclohexanediol,trans-1,2-dihydroxycyclohexane,1,2-cyclohexanediol, mixture of cis and trans PubChem CID: 13601 ChEBI: CHEBI:24567 IUPAC Name: cyclohexane-1,2-diol SMILES: C1CCC(C(C1)O)O
| PubChem CID | 13601 |
|---|---|
| CAS | 931-17-9 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:24567 |
| MDL Number | MFCD00003861 |
| SMILES | C1CCC(C(C1)O)O |
| Synonym | 1,2-cyclohexanediol,2-hydroxycyclohexanol,pyrocatechitol,1,2-dihydroxycyclohexane,brenzkatechin,1,2-benzenediol, hexahydro,brenzkatechin german,1,2-trans-cyclohexanediol,trans-1,2-dihydroxycyclohexane,1,2-cyclohexanediol, mixture of cis and trans |
| IUPAC Name | cyclohexane-1,2-diol |
| InChI Key | PFURGBBHAOXLIO-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
6-Bromoisatin 97.0+%, TCI America™
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CAS: 6326-79-0 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD01631138 InChI Key: HVPQMLZLINVIHW-UHFFFAOYSA-N Synonym: 6-bromoisatin,6-bromoindoline-2,3-dione,6-bromo-isatin,1h-indole-2,3-dione, 6-bromo,6-bromoindole-2,3-dione,6-bromo-2,3-dihydro-1h-indole-2,3-dione,6-bromo-1h-benzo d azolidine-2,3-dione,6-bromoindolin-2,3-dione,6-bromo-2,3-indolinedione PubChem CID: 95716 IUPAC Name: 6-bromo-2,3-dihydro-1H-indole-2,3-dione SMILES: BrC1=CC=C2C(NC(=O)C2=O)=C1
| PubChem CID | 95716 |
|---|---|
| CAS | 6326-79-0 |
| Molecular Weight (g/mol) | 226.03 |
| MDL Number | MFCD01631138 |
| SMILES | BrC1=CC=C2C(NC(=O)C2=O)=C1 |
| Synonym | 6-bromoisatin,6-bromoindoline-2,3-dione,6-bromo-isatin,1h-indole-2,3-dione, 6-bromo,6-bromoindole-2,3-dione,6-bromo-2,3-dihydro-1h-indole-2,3-dione,6-bromo-1h-benzo d azolidine-2,3-dione,6-bromoindolin-2,3-dione,6-bromo-2,3-indolinedione |
| IUPAC Name | 6-bromo-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | HVPQMLZLINVIHW-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrNO2 |
trans-2-Tridecen-1-ol 90.0+%, TCI America™
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CAS: 68480-25-1 Molecular Formula: C13H26O Molecular Weight (g/mol): 198.35 MDL Number: MFCD00014048 InChI Key: VPYJHNADOJDSGU-VAWYXSNFSA-N PubChem CID: 5364949 IUPAC Name: (2E)-tridec-2-en-1-ol SMILES: CCCCCCCCCC\C=C\CO
| PubChem CID | 5364949 |
|---|---|
| CAS | 68480-25-1 |
| Molecular Weight (g/mol) | 198.35 |
| MDL Number | MFCD00014048 |
| SMILES | CCCCCCCCCC\C=C\CO |
| IUPAC Name | (2E)-tridec-2-en-1-ol |
| InChI Key | VPYJHNADOJDSGU-VAWYXSNFSA-N |
| Molecular Formula | C13H26O |
4-n-Octyloxybenzaldehyde 98.0+%, TCI America™
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CAS: 24083-13-4 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00014136 InChI Key: KVOWZHASDIKNFK-UHFFFAOYSA-N Synonym: 4-octyloxy benzaldehyde,4-octyloxybenzaldehyde,4-n-octyloxybenzaldehyde,p-octyloxybenzaldehyde,benzaldehyde, 4-octyloxy,p-octyloxy benzaldehyde,p-n-octoxy benzaldehyde,p-n-octyloxybenzaldehyde,acmc-209g8t PubChem CID: 90358 IUPAC Name: 4-octoxybenzaldehyde SMILES: CCCCCCCCOC1=CC=C(C=C1)C=O
| PubChem CID | 90358 |
|---|---|
| CAS | 24083-13-4 |
| Molecular Weight (g/mol) | 234.339 |
| MDL Number | MFCD00014136 |
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C=O |
| Synonym | 4-octyloxy benzaldehyde,4-octyloxybenzaldehyde,4-n-octyloxybenzaldehyde,p-octyloxybenzaldehyde,benzaldehyde, 4-octyloxy,p-octyloxy benzaldehyde,p-n-octoxy benzaldehyde,p-n-octyloxybenzaldehyde,acmc-209g8t |
| IUPAC Name | 4-octoxybenzaldehyde |
| InChI Key | KVOWZHASDIKNFK-UHFFFAOYSA-N |
| Molecular Formula | C15H22O2 |
sec-Butyl Methyl Ether 98.0+%, TCI America™
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CAS: 6795-87-5 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00190205 InChI Key: FVNIMHIOIXPIQT-UHFFFAOYNA-N Synonym: sec-butyl methyl ether,butane, 2-methoxy,methyl sec-butyl ether,ether, sec-butyl methyl,2-butyl methyl ether,methyl 1-methylpropyl ether,s-butyl methyl ether,butane, 2-methoxy-9ci,butane,2-methoxy,acmc-1b64a PubChem CID: 23238 IUPAC Name: 2-methoxybutane SMILES: CCC(C)OC
| PubChem CID | 23238 |
|---|---|
| CAS | 6795-87-5 |
| Molecular Weight (g/mol) | 88.15 |
| MDL Number | MFCD00190205 |
| SMILES | CCC(C)OC |
| Synonym | sec-butyl methyl ether,butane, 2-methoxy,methyl sec-butyl ether,ether, sec-butyl methyl,2-butyl methyl ether,methyl 1-methylpropyl ether,s-butyl methyl ether,butane, 2-methoxy-9ci,butane,2-methoxy,acmc-1b64a |
| IUPAC Name | 2-methoxybutane |
| InChI Key | FVNIMHIOIXPIQT-UHFFFAOYNA-N |
| Molecular Formula | C5H12O |
6-Quinolinecarboxaldehyde 98.0+%, TCI America™
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CAS: 4113-04-6 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.17 MDL Number: MFCD00805836 InChI Key: VUAOIXANWIFYCU-UHFFFAOYSA-N Synonym: 6-Formylquinoline PubChem CID: 765653 IUPAC Name: quinoline-6-carbaldehyde SMILES: C1=CC2=C(C=CC(=C2)C=O)N=C1
| PubChem CID | 765653 |
|---|---|
| CAS | 4113-04-6 |
| Molecular Weight (g/mol) | 157.17 |
| MDL Number | MFCD00805836 |
| SMILES | C1=CC2=C(C=CC(=C2)C=O)N=C1 |
| Synonym | 6-Formylquinoline |
| IUPAC Name | quinoline-6-carbaldehyde |
| InChI Key | VUAOIXANWIFYCU-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO |
1-Chloroanthraquinone 98.0+%, TCI America™
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CAS: 82-44-0 Molecular Formula: C14H7ClO2 Molecular Weight (g/mol): 242.658 MDL Number: MFCD00001189 InChI Key: BOCJQSFSGAZAPQ-UHFFFAOYSA-N Synonym: 1-chloroanthraquinone,1-chloro anthraquinone,anthraquinone, 1-chloro,1-chloro-9,10-anthraquinone,9,10-anthracenedione, 1-chloro,1-chloranthrachinon,1-chloranthrachinon czech,alpha-chloroanthraquinone,alpha-monochloroanthraquinone,unii-96s5sqv15v PubChem CID: 6709 IUPAC Name: 1-chloroanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Cl
| PubChem CID | 6709 |
|---|---|
| CAS | 82-44-0 |
| Molecular Weight (g/mol) | 242.658 |
| MDL Number | MFCD00001189 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Cl |
| Synonym | 1-chloroanthraquinone,1-chloro anthraquinone,anthraquinone, 1-chloro,1-chloro-9,10-anthraquinone,9,10-anthracenedione, 1-chloro,1-chloranthrachinon,1-chloranthrachinon czech,alpha-chloroanthraquinone,alpha-monochloroanthraquinone,unii-96s5sqv15v |
| IUPAC Name | 1-chloroanthracene-9,10-dione |
| InChI Key | BOCJQSFSGAZAPQ-UHFFFAOYSA-N |
| Molecular Formula | C14H7ClO2 |
2-(1-Naphthyl)ethanol 95.0+%, TCI America™
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CAS: 773-99-9 Molecular Formula: C12H12O Molecular Weight (g/mol): 172.227 MDL Number: MFCD00004050 InChI Key: RXWNCMHRJCOWDK-UHFFFAOYSA-N Synonym: 1-naphthaleneethanol,2-1-naphthyl ethanol,2-naphthalen-1-yl ethanol,1-2-hydroxyethyl naphthalene,naphthalen-1-ethanol,2-naphthylethanol,1-naphthyl ethanol,1-naphthalene ethanol,2-naphthalen-1-yl ethan-1-ol,1-napthaleneethanol PubChem CID: 13047 IUPAC Name: 2-naphthalen-1-ylethanol SMILES: C1=CC=C2C(=C1)C=CC=C2CCO
| PubChem CID | 13047 |
|---|---|
| CAS | 773-99-9 |
| Molecular Weight (g/mol) | 172.227 |
| MDL Number | MFCD00004050 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2CCO |
| Synonym | 1-naphthaleneethanol,2-1-naphthyl ethanol,2-naphthalen-1-yl ethanol,1-2-hydroxyethyl naphthalene,naphthalen-1-ethanol,2-naphthylethanol,1-naphthyl ethanol,1-naphthalene ethanol,2-naphthalen-1-yl ethan-1-ol,1-napthaleneethanol |
| IUPAC Name | 2-naphthalen-1-ylethanol |
| InChI Key | RXWNCMHRJCOWDK-UHFFFAOYSA-N |
| Molecular Formula | C12H12O |
3,5-Diiodosalicylaldehyde 98.0+%, TCI America™
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CAS: 2631-77-8 Molecular Formula: C7H4I2O2 Molecular Weight (g/mol): 373.916 MDL Number: MFCD00003321 InChI Key: MYWSBJKVOUZCIA-UHFFFAOYSA-N Synonym: 3,5-diiodosalicylaldehyde,benzaldehyde, 2-hydroxy-3,5-diiodo,3,5-diiodo-2-hydroxybenzaldehyde,2-hydroxy-3,5-diiodo-benzaldehyde,acmc-20ancp,3,5-diodosolicylaldehyde,2,4-diiodo-6-formylphenol,#,benzaldehyde,2-hydroxy-3,5-diiodo PubChem CID: 75829 IUPAC Name: 2-hydroxy-3,5-diiodobenzaldehyde SMILES: C1=C(C=C(C(=C1I)O)C=O)I
| PubChem CID | 75829 |
|---|---|
| CAS | 2631-77-8 |
| Molecular Weight (g/mol) | 373.916 |
| MDL Number | MFCD00003321 |
| SMILES | C1=C(C=C(C(=C1I)O)C=O)I |
| Synonym | 3,5-diiodosalicylaldehyde,benzaldehyde, 2-hydroxy-3,5-diiodo,3,5-diiodo-2-hydroxybenzaldehyde,2-hydroxy-3,5-diiodo-benzaldehyde,acmc-20ancp,3,5-diodosolicylaldehyde,2,4-diiodo-6-formylphenol,#,benzaldehyde,2-hydroxy-3,5-diiodo |
| IUPAC Name | 2-hydroxy-3,5-diiodobenzaldehyde |
| InChI Key | MYWSBJKVOUZCIA-UHFFFAOYSA-N |
| Molecular Formula | C7H4I2O2 |
Triisopropyl Orthoformate 97.0+%, TCI America™
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CAS: 4447-60-3 Molecular Formula: C10H22O3 Molecular Weight (g/mol): 190.283 MDL Number: MFCD00060628 InChI Key: FPIVAWNGRDHRSQ-UHFFFAOYSA-N Synonym: triisopropyl orthoformate,triisopropoxymethane,triisopropylorthoformate,propane, 2,2',2-methylidynetris oxy tris,2-diisopropoxymethoxy propane,2-di propan-2-yloxy methoxy propane,2-bis propan-2-yloxy methoxy propane,orthoformic acid, triisopropyl ester,isopropyl orthoformate PubChem CID: 78191 IUPAC Name: 2-[di(propan-2-yloxy)methoxy]propane SMILES: CC(C)OC(OC(C)C)OC(C)C
| PubChem CID | 78191 |
|---|---|
| CAS | 4447-60-3 |
| Molecular Weight (g/mol) | 190.283 |
| MDL Number | MFCD00060628 |
| SMILES | CC(C)OC(OC(C)C)OC(C)C |
| Synonym | triisopropyl orthoformate,triisopropoxymethane,triisopropylorthoformate,propane, 2,2',2-methylidynetris oxy tris,2-diisopropoxymethoxy propane,2-di propan-2-yloxy methoxy propane,2-bis propan-2-yloxy methoxy propane,orthoformic acid, triisopropyl ester,isopropyl orthoformate |
| IUPAC Name | 2-[di(propan-2-yloxy)methoxy]propane |
| InChI Key | FPIVAWNGRDHRSQ-UHFFFAOYSA-N |
| Molecular Formula | C10H22O3 |
Undecanal 97.0+%, TCI America™
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CAS: 112-44-7 Molecular Formula: C11H22O Molecular Weight (g/mol): 170.296 MDL Number: MFCD00007016 InChI Key: KMPQYAYAQWNLME-UHFFFAOYSA-N Synonym: undecanaldehyde,n-undecanal,undecyl aldehyde,undecylic aldehyde,1-undecanal,undecylaldehyde,hendecanal,hendecanaldehyde,aldehyde c-11,n-undecyl aldehyde PubChem CID: 8186 ChEBI: CHEBI:46202 IUPAC Name: undecanal SMILES: CCCCCCCCCCC=O
| PubChem CID | 8186 |
|---|---|
| CAS | 112-44-7 |
| Molecular Weight (g/mol) | 170.296 |
| ChEBI | CHEBI:46202 |
| MDL Number | MFCD00007016 |
| SMILES | CCCCCCCCCCC=O |
| Synonym | undecanaldehyde,n-undecanal,undecyl aldehyde,undecylic aldehyde,1-undecanal,undecylaldehyde,hendecanal,hendecanaldehyde,aldehyde c-11,n-undecyl aldehyde |
| IUPAC Name | undecanal |
| InChI Key | KMPQYAYAQWNLME-UHFFFAOYSA-N |
| Molecular Formula | C11H22O |
(S)-(+)-3-Hydroxy-2,2-dimethylcyclohexanone 95.0+%, TCI America™
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CAS: 87655-21-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00671542 InChI Key: MAGFJLNBFXFQGX-LURJTMIESA-N PubChem CID: 11018979 IUPAC Name: (3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one SMILES: CC1(C(CCCC1=O)O)C
| PubChem CID | 11018979 |
|---|---|
| CAS | 87655-21-8 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00671542 |
| SMILES | CC1(C(CCCC1=O)O)C |
| IUPAC Name | (3S)-3-hydroxy-2,2-dimethylcyclohexan-1-one |
| InChI Key | MAGFJLNBFXFQGX-LURJTMIESA-N |
| Molecular Formula | C8H14O2 |
Capsanthin (=Paprika Extract) (Vegetable oil solution), TCI America™
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CAS: 465-42-9 Molecular Formula: C40H56O3 Molecular Weight (g/mol): 584.89 MDL Number: MFCD03423725 InChI Key: VYIRVAXUEZSDNC-RDJLEWNRSA-N Synonym: Paprika Extract PubChem CID: 5281228 ChEBI: CHEBI:3375 IUPAC Name: (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one SMILES: C\C(\C=C\C=C(/C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C
| PubChem CID | 5281228 |
|---|---|
| CAS | 465-42-9 |
| Molecular Weight (g/mol) | 584.89 |
| ChEBI | CHEBI:3375 |
| MDL Number | MFCD03423725 |
| SMILES | C\C(\C=C\C=C(/C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C |
| Synonym | Paprika Extract |
| IUPAC Name | (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one |
| InChI Key | VYIRVAXUEZSDNC-RDJLEWNRSA-N |
| Molecular Formula | C40H56O3 |
Diethyl Oxalacetate 95.0+%, TCI America™
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CAS: 108-56-5 Molecular Formula: C8H12O5 Molecular Weight (g/mol): 188.179 MDL Number: MFCD00059229 InChI Key: JDXYSCUOABNLIR-UHFFFAOYSA-N Synonym: Ethyl Oxalacetate, Oxalacetic Acid Diethyl Ester PubChem CID: 66951 ChEBI: CHEBI:86608 IUPAC Name: diethyl 2-oxobutanedioate SMILES: CCOC(=O)CC(=O)C(=O)OCC
| PubChem CID | 66951 |
|---|---|
| CAS | 108-56-5 |
| Molecular Weight (g/mol) | 188.179 |
| ChEBI | CHEBI:86608 |
| MDL Number | MFCD00059229 |
| SMILES | CCOC(=O)CC(=O)C(=O)OCC |
| Synonym | Ethyl Oxalacetate, Oxalacetic Acid Diethyl Ester |
| IUPAC Name | diethyl 2-oxobutanedioate |
| InChI Key | JDXYSCUOABNLIR-UHFFFAOYSA-N |
| Molecular Formula | C8H12O5 |
Phthalic Acid Bis(2-butoxyethyl) Ester 85.0+%, TCI America™
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CAS: 117-83-9 Molecular Formula: C20H30O6 Molecular Weight (g/mol): 366.454 MDL Number: MFCD00048781 InChI Key: CMCJNODIWQEOAI-UHFFFAOYSA-N Synonym: Bis(2-butoxyethyl) Phthalate PubChem CID: 8345 ChEBI: CHEBI:79937 IUPAC Name: bis(2-butoxyethyl) benzene-1,2-dicarboxylate SMILES: CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC
| PubChem CID | 8345 |
|---|---|
| CAS | 117-83-9 |
| Molecular Weight (g/mol) | 366.454 |
| ChEBI | CHEBI:79937 |
| MDL Number | MFCD00048781 |
| SMILES | CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC |
| Synonym | Bis(2-butoxyethyl) Phthalate |
| IUPAC Name | bis(2-butoxyethyl) benzene-1,2-dicarboxylate |
| InChI Key | CMCJNODIWQEOAI-UHFFFAOYSA-N |
| Molecular Formula | C20H30O6 |