Organooxygen compounds
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Ethyl 3-Oxo-3-(4-chlorophenyl)propionate 98.0+%, TCI America™
CAS: 2881-63-2 Molecular Formula: C11H11ClO3 Molecular Weight (g/mol): 226.656 MDL Number: MFCD00018713 InChI Key: DGCZHKABHPDNCC-UHFFFAOYSA-N Synonym: 3-Oxo-3-(4-chlorophenyl)propionic Acid Ethyl Ester PubChem CID: 101336 IUPAC Name: ethyl 3-(4-chlorophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)Cl
| PubChem CID | 101336 |
|---|---|
| CAS | 2881-63-2 |
| Molecular Weight (g/mol) | 226.656 |
| MDL Number | MFCD00018713 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)Cl |
| Synonym | 3-Oxo-3-(4-chlorophenyl)propionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-(4-chlorophenyl)-3-oxopropanoate |
| InChI Key | DGCZHKABHPDNCC-UHFFFAOYSA-N |
| Molecular Formula | C11H11ClO3 |
4-Ethylcyclohexanol (cis- and trans- mixture) 97.0+%, TCI America™
CAS: 4534-74-1 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00001450,MFCD00070694 InChI Key: RVTKUJWGFBADIN-UHFFFAOYSA-N Synonym: 4-ethylcyclohexanol,trans-4-ethylcyclohexanol,cyclohexanol, 4-ethyl,cis-4-ethylcyclohexanol,cyclohexanol, 4-ethyl-, trans,4-ethylcyclohexanol,c&t,4-ethylcyclohexanol mixture of cis and trans,trans-4-ethyl cyclohexanol,ethyl cyclohexanol,cyclohexanol, 4-ethyl-, mixture of cis and trans PubChem CID: 78293 IUPAC Name: 4-ethylcyclohexan-1-ol SMILES: CCC1CCC(O)CC1
| PubChem CID | 78293 |
|---|---|
| CAS | 4534-74-1 |
| Molecular Weight (g/mol) | 128.22 |
| MDL Number | MFCD00001450,MFCD00070694 |
| SMILES | CCC1CCC(O)CC1 |
| Synonym | 4-ethylcyclohexanol,trans-4-ethylcyclohexanol,cyclohexanol, 4-ethyl,cis-4-ethylcyclohexanol,cyclohexanol, 4-ethyl-, trans,4-ethylcyclohexanol,c&t,4-ethylcyclohexanol mixture of cis and trans,trans-4-ethyl cyclohexanol,ethyl cyclohexanol,cyclohexanol, 4-ethyl-, mixture of cis and trans |
| IUPAC Name | 4-ethylcyclohexan-1-ol |
| InChI Key | RVTKUJWGFBADIN-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
2,2-Diisobutyl-1,3-propanediol 98.0+%, TCI America™
CAS: 10547-96-3 Molecular Formula: C11H24O2 Molecular Weight (g/mol): 188.311 MDL Number: MFCD00986394 InChI Key: PTRCHMOHGGDNIJ-UHFFFAOYSA-N Synonym: 2,2-Dihydroxy-2,2-diisobutylpropane PubChem CID: 3985625 IUPAC Name: 2,2-bis(2-methylpropyl)propane-1,3-diol SMILES: CC(C)CC(CC(C)C)(CO)CO
| PubChem CID | 3985625 |
|---|---|
| CAS | 10547-96-3 |
| Molecular Weight (g/mol) | 188.311 |
| MDL Number | MFCD00986394 |
| SMILES | CC(C)CC(CC(C)C)(CO)CO |
| Synonym | 2,2-Dihydroxy-2,2-diisobutylpropane |
| IUPAC Name | 2,2-bis(2-methylpropyl)propane-1,3-diol |
| InChI Key | PTRCHMOHGGDNIJ-UHFFFAOYSA-N |
| Molecular Formula | C11H24O2 |
D-(-)-Quinic Acid 98.0+%, TCI America™
CAS: 77-95-2 Molecular Formula: C7H12O6 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00003864 InChI Key: AAWZDTNXLSGCEK-UHFFFAOYNA-N Synonym: quinic acid,d---quinic acid,--quinic acid,chinic acid,kinic acid,chinasaure,quinate,l-quinic acid,d-quinic acid,unii-058c04bgyi PubChem CID: 6508 IUPAC Name: 1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid SMILES: OC1CC(O)(CC(O)C1O)C(O)=O
| PubChem CID | 6508 |
|---|---|
| CAS | 77-95-2 |
| Molecular Weight (g/mol) | 192.17 |
| MDL Number | MFCD00003864 |
| SMILES | OC1CC(O)(CC(O)C1O)C(O)=O |
| Synonym | quinic acid,d---quinic acid,--quinic acid,chinic acid,kinic acid,chinasaure,quinate,l-quinic acid,d-quinic acid,unii-058c04bgyi |
| IUPAC Name | 1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid |
| InChI Key | AAWZDTNXLSGCEK-UHFFFAOYNA-N |
| Molecular Formula | C7H12O6 |
Dodecaethylene Glycol 90.0+%, TCI America™
CAS: 6790-09-6 Molecular Formula: C24H50O13 Molecular Weight (g/mol): 546.65 MDL Number: MFCD06201001 InChI Key: WRZXKWFJEFFURH-UHFFFAOYSA-N PubChem CID: 81248 ChEBI: CHEBI:39524 IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
| PubChem CID | 81248 |
|---|---|
| CAS | 6790-09-6 |
| Molecular Weight (g/mol) | 546.65 |
| ChEBI | CHEBI:39524 |
| MDL Number | MFCD06201001 |
| SMILES | C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O |
| IUPAC Name | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
| InChI Key | WRZXKWFJEFFURH-UHFFFAOYSA-N |
| Molecular Formula | C24H50O13 |
Ethyl D-(-)-Mandelate 98.0+%, TCI America™
CAS: 10606-72-1 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00064248 InChI Key: SAXHIDRUJXPDOD-SECBINFHSA-N Synonym: D-(-)-Mandelic Acid Ethyl Ester PubChem CID: 6951556 ChEBI: CHEBI:78406 IUPAC Name: ethyl (2R)-2-hydroxy-2-phenylacetate SMILES: CCOC(=O)C(C1=CC=CC=C1)O
| PubChem CID | 6951556 |
|---|---|
| CAS | 10606-72-1 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:78406 |
| MDL Number | MFCD00064248 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1)O |
| Synonym | D-(-)-Mandelic Acid Ethyl Ester |
| IUPAC Name | ethyl (2R)-2-hydroxy-2-phenylacetate |
| InChI Key | SAXHIDRUJXPDOD-SECBINFHSA-N |
| Molecular Formula | C10H12O3 |
2-(1-Naphthyl)ethanol 95.0+%, TCI America™
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-Methyl-1-phenyl-3-pentanol 98.0+%, TCI America™
CAS: 10415-87-9 Molecular Formula: C12H18O Molecular Weight (g/mol): 178.275 MDL Number: MFCD00021825 InChI Key: AEJRTNBCFUOSEM-UHFFFAOYSA-N PubChem CID: 61516 IUPAC Name: 3-methyl-1-phenylpentan-3-ol SMILES: CCC(C)(CCC1=CC=CC=C1)O
| PubChem CID | 61516 |
|---|---|
| CAS | 10415-87-9 |
| Molecular Weight (g/mol) | 178.275 |
| MDL Number | MFCD00021825 |
| SMILES | CCC(C)(CCC1=CC=CC=C1)O |
| IUPAC Name | 3-methyl-1-phenylpentan-3-ol |
| InChI Key | AEJRTNBCFUOSEM-UHFFFAOYSA-N |
| Molecular Formula | C12H18O |
(R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane 94.0+%, TCI America™
CAS: 70005-89-9 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.186 MDL Number: MFCD02682966 InChI Key: YYEZYENJAMOWHW-ZCFIWIBFSA-N Synonym: (R)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethanol PubChem CID: 11480522 IUPAC Name: 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol SMILES: CC1(OCC(O1)CCO)C
| PubChem CID | 11480522 |
|---|---|
| CAS | 70005-89-9 |
| Molecular Weight (g/mol) | 146.186 |
| MDL Number | MFCD02682966 |
| SMILES | CC1(OCC(O1)CCO)C |
| Synonym | (R)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethanol |
| IUPAC Name | 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol |
| InChI Key | YYEZYENJAMOWHW-ZCFIWIBFSA-N |
| Molecular Formula | C7H14O3 |
Ethyl trans-4-Hydroxycyclohexanecarboxylate 98.0+%, TCI America™
CAS: 3618-04-0 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 InChI Key: BZKQJSLASWRDNE-UHFFFAOYSA-N Synonym: trans-4-Hydroxycyclohexanecarboxylic Acid Ethyl Ester PubChem CID: 86973 IUPAC Name: ethyl 4-hydroxycyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCC(CC1)O
| PubChem CID | 86973 |
|---|---|
| CAS | 3618-04-0 |
| Molecular Weight (g/mol) | 172.224 |
| SMILES | CCOC(=O)C1CCC(CC1)O |
| Synonym | trans-4-Hydroxycyclohexanecarboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 4-hydroxycyclohexane-1-carboxylate |
| InChI Key | BZKQJSLASWRDNE-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
cis-1,2-Cyclohexanedimethanol 97.0+%, TCI America™
CAS: 15753-50-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00062987,MFCD16660860,MFCD22572336,MFCD19300921,MFCD22572336,MFCD09260493 InChI Key: XDODWINGEHBYRT-UHFFFAOYNA-N Synonym: cis-1,2-Bis(hydroxymethyl)cyclohexane PubChem CID: 2724019 IUPAC Name: [2-(hydroxymethyl)cyclohexyl]methanol SMILES: OCC1CCCCC1CO
| PubChem CID | 2724019 |
|---|---|
| CAS | 15753-50-1 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00062987,MFCD16660860,MFCD22572336,MFCD19300921,MFCD22572336,MFCD09260493 |
| SMILES | OCC1CCCCC1CO |
| Synonym | cis-1,2-Bis(hydroxymethyl)cyclohexane |
| IUPAC Name | [2-(hydroxymethyl)cyclohexyl]methanol |
| InChI Key | XDODWINGEHBYRT-UHFFFAOYNA-N |
| Molecular Formula | C8H16O2 |
3-(Methoxymethoxy)benzaldehyde 95.0+%, TCI America™
CAS: 13709-05-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD04038425 InChI Key: JAFJNSQISURLCX-UHFFFAOYSA-N PubChem CID: 12273513 IUPAC Name: 3-(methoxymethoxy)benzaldehyde SMILES: COCOC1=CC=CC(=C1)C=O
| PubChem CID | 12273513 |
|---|---|
| CAS | 13709-05-2 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD04038425 |
| SMILES | COCOC1=CC=CC(=C1)C=O |
| IUPAC Name | 3-(methoxymethoxy)benzaldehyde |
| InChI Key | JAFJNSQISURLCX-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
1-Chloropinacolin 97.0+%, TCI America™
CAS: 13547-70-1 Molecular Formula: C6H11ClO Molecular Weight (g/mol): 134.603 MDL Number: MFCD00035688 InChI Key: ULSAJQMHTGKPIY-UHFFFAOYSA-N Synonym: 1-chloropinacolone,1-chloro-3,3-dimethyl-2-butanone,chlorpinakolin,2-butanone, 1-chloro-3,3-dimethyl,1-monochloropinacoline,tert-butyl chloromethyl ketone,alpha-chloropinacolin,alpha-chloropinacoline,chloromethyl tert-butyl ketone,chloropinacoline PubChem CID: 83572 IUPAC Name: 1-chloro-3,3-dimethylbutan-2-one SMILES: CC(C)(C)C(=O)CCl
| PubChem CID | 83572 |
|---|---|
| CAS | 13547-70-1 |
| Molecular Weight (g/mol) | 134.603 |
| MDL Number | MFCD00035688 |
| SMILES | CC(C)(C)C(=O)CCl |
| Synonym | 1-chloropinacolone,1-chloro-3,3-dimethyl-2-butanone,chlorpinakolin,2-butanone, 1-chloro-3,3-dimethyl,1-monochloropinacoline,tert-butyl chloromethyl ketone,alpha-chloropinacolin,alpha-chloropinacoline,chloromethyl tert-butyl ketone,chloropinacoline |
| IUPAC Name | 1-chloro-3,3-dimethylbutan-2-one |
| InChI Key | ULSAJQMHTGKPIY-UHFFFAOYSA-N |
| Molecular Formula | C6H11ClO |
Dimethyl 1,4-Cyclohexanedione-2,5-dicarboxylate 98.0+%, TCI America™
CAS: 6289-46-9 Molecular Formula: C10H12O6 Molecular Weight (g/mol): 228.20 MDL Number: MFCD00001607 InChI Key: MHKKFFHWMKEBDW-UHFFFAOYNA-N Synonym: dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester PubChem CID: 94866 IUPAC Name: 1,4-dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate SMILES: COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
| PubChem CID | 94866 |
|---|---|
| CAS | 6289-46-9 |
| Molecular Weight (g/mol) | 228.20 |
| MDL Number | MFCD00001607 |
| SMILES | COC(=O)C1CC(=O)C(CC1=O)C(=O)OC |
| Synonym | dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester |
| IUPAC Name | 1,4-dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate |
| InChI Key | MHKKFFHWMKEBDW-UHFFFAOYNA-N |
| Molecular Formula | C10H12O6 |
3,4-Dichlorobenzaldehyde 98.0+%, TCI America™
CAS: 6287-38-3 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00003351 InChI Key: ZWUSBSHBFFPRNE-UHFFFAOYSA-N Synonym: benzaldehyde, 3,4-dichloro,unii-i6z632wsj5,ccris 6015,pubchem8230,3,4-dichlorobenzaldehye,3,4-dichlorobenzaldhyde,3,4 dichlorobenzaldehyde,3,4-dichlorobenzaidehyde,4,3-dichlorobenzaldehyde,dsstox_cid_4971 PubChem CID: 22710 IUPAC Name: 3,4-dichlorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)Cl)Cl
| PubChem CID | 22710 |
|---|---|
| CAS | 6287-38-3 |
| Molecular Weight (g/mol) | 175.008 |
| MDL Number | MFCD00003351 |
| SMILES | C1=CC(=C(C=C1C=O)Cl)Cl |
| Synonym | benzaldehyde, 3,4-dichloro,unii-i6z632wsj5,ccris 6015,pubchem8230,3,4-dichlorobenzaldehye,3,4-dichlorobenzaldhyde,3,4 dichlorobenzaldehyde,3,4-dichlorobenzaidehyde,4,3-dichlorobenzaldehyde,dsstox_cid_4971 |
| IUPAC Name | 3,4-dichlorobenzaldehyde |
| InChI Key | ZWUSBSHBFFPRNE-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |