Organooxygen compounds
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4-tert-Butylsulfonylcalix[4]arene 98.0+%, TCI America™
CAS: 204190-49-8 Molecular Formula: C40H48O12S4 Molecular Weight (g/mol): 849.05 MDL Number: MFCD06797060 InChI Key: BOLKLFFOYGXSKT-UHFFFAOYSA-N Synonym: Tetra-tert-butyl(tetrahydroxy)tetrasulfonylcalix[4]arene PubChem CID: 11445832 IUPAC Name: 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrahydroxy-2λ⁶,8λ⁶,14λ⁶,20λ⁶-tetrathiapentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-2,2,8,8,14,14,20,20-octone SMILES: CC(C)(C)C1=CC2=C(O)C(=C1)S(=O)(=O)C1=CC(=CC(=C1O)S(=O)(=O)C1=CC(=CC(=C1O)S(=O)(=O)C1=C(O)C(=CC(=C1)C(C)(C)C)S2(=O)=O)C(C)(C)C)C(C)(C)C
| PubChem CID | 11445832 |
|---|---|
| CAS | 204190-49-8 |
| Molecular Weight (g/mol) | 849.05 |
| MDL Number | MFCD06797060 |
| SMILES | CC(C)(C)C1=CC2=C(O)C(=C1)S(=O)(=O)C1=CC(=CC(=C1O)S(=O)(=O)C1=CC(=CC(=C1O)S(=O)(=O)C1=C(O)C(=CC(=C1)C(C)(C)C)S2(=O)=O)C(C)(C)C)C(C)(C)C |
| Synonym | Tetra-tert-butyl(tetrahydroxy)tetrasulfonylcalix[4]arene |
| IUPAC Name | 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrahydroxy-2λ⁶,8λ⁶,14λ⁶,20λ⁶-tetrathiapentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-2,2,8,8,14,14,20,20-octone |
| InChI Key | BOLKLFFOYGXSKT-UHFFFAOYSA-N |
| Molecular Formula | C40H48O12S4 |
Ethyl 2-Hydroxyisobutyrate 98.0+%, TCI America™
CAS: 80-55-7 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00004458 InChI Key: GFUIDHWFLMPAGY-UHFFFAOYSA-N Synonym: ethyl 2-hydroxyisobutyrate,ethyl 2-hydroxy-2-methylpropionate,ethyl 2-methyllactate,propanoic acid, 2-hydroxy-2-methyl-, ethyl ester,ethyl alpha-hydroxyisobutyrate,2-methyllactic acid ethyl ester,ethyl,a-hydroxyisobutyrate,lactic acid, 2-methyl-, ethyl ester,unii-s1530mcv3x,ethyl-2-hydroxyisobutyrate PubChem CID: 6653 IUPAC Name: ethyl 2-hydroxy-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)O
| PubChem CID | 6653 |
|---|---|
| CAS | 80-55-7 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00004458 |
| SMILES | CCOC(=O)C(C)(C)O |
| Synonym | ethyl 2-hydroxyisobutyrate,ethyl 2-hydroxy-2-methylpropionate,ethyl 2-methyllactate,propanoic acid, 2-hydroxy-2-methyl-, ethyl ester,ethyl alpha-hydroxyisobutyrate,2-methyllactic acid ethyl ester,ethyl,a-hydroxyisobutyrate,lactic acid, 2-methyl-, ethyl ester,unii-s1530mcv3x,ethyl-2-hydroxyisobutyrate |
| IUPAC Name | ethyl 2-hydroxy-2-methylpropanoate |
| InChI Key | GFUIDHWFLMPAGY-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
4-(Hydroxymethyl)cyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 13380-84-2 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD10566907,MFCD01734677,MFCD10566906 InChI Key: VQMIUUBKKPIDBN-UHFFFAOYSA-N Synonym: 4-Carboxy-1-cyclohexanemethanol PubChem CID: 202819 IUPAC Name: 4-(hydroxymethyl)cyclohexane-1-carboxylic acid SMILES: OCC1CCC(CC1)C(O)=O
| PubChem CID | 202819 |
|---|---|
| CAS | 13380-84-2 |
| Molecular Weight (g/mol) | 158.20 |
| MDL Number | MFCD10566907,MFCD01734677,MFCD10566906 |
| SMILES | OCC1CCC(CC1)C(O)=O |
| Synonym | 4-Carboxy-1-cyclohexanemethanol |
| IUPAC Name | 4-(hydroxymethyl)cyclohexane-1-carboxylic acid |
| InChI Key | VQMIUUBKKPIDBN-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
2,4-Dimethyl-2,4-pentanediol 96.0+%, TCI America™
CAS: 24892-49-7 Molecular Formula: C7H16O2 Molecular Weight (g/mol): 132.20 MDL Number: MFCD00012306 InChI Key: DBTGFWMBFZBBEF-UHFFFAOYSA-N PubChem CID: 141153 IUPAC Name: 2,4-dimethylpentane-2,4-diol SMILES: CC(C)(O)CC(C)(C)O
| PubChem CID | 141153 |
|---|---|
| CAS | 24892-49-7 |
| Molecular Weight (g/mol) | 132.20 |
| MDL Number | MFCD00012306 |
| SMILES | CC(C)(O)CC(C)(C)O |
| IUPAC Name | 2,4-dimethylpentane-2,4-diol |
| InChI Key | DBTGFWMBFZBBEF-UHFFFAOYSA-N |
| Molecular Formula | C7H16O2 |
2-(2,6-Dichlorophenyl)ethanol 97.0+%, TCI America™
CAS: 30595-79-0 Molecular Formula: C8H8Cl2O Molecular Weight (g/mol): 191.05 MDL Number: MFCD00800674 InChI Key: ZBQPKQUIKJDGIX-UHFFFAOYSA-N Synonym: 2,6-dichlorophenethyl alcohol,2-2,6-dichlorophenyl ethanol,2,6-dichlorophenethylalcohol,2-2,6-dichlorophenyl ethan-1-ol,2,6-dichlorophenethanol,benzeneethanol, 2,6-dichloro,acmc-209hha,2,6-dichlorobenzeneethanol,ksc493m0h,benzeneethanol,2,6-dichloro PubChem CID: 2734100 IUPAC Name: 2-(2,6-dichlorophenyl)ethan-1-ol SMILES: OCCC1=C(Cl)C=CC=C1Cl
| PubChem CID | 2734100 |
|---|---|
| CAS | 30595-79-0 |
| Molecular Weight (g/mol) | 191.05 |
| MDL Number | MFCD00800674 |
| SMILES | OCCC1=C(Cl)C=CC=C1Cl |
| Synonym | 2,6-dichlorophenethyl alcohol,2-2,6-dichlorophenyl ethanol,2,6-dichlorophenethylalcohol,2-2,6-dichlorophenyl ethan-1-ol,2,6-dichlorophenethanol,benzeneethanol, 2,6-dichloro,acmc-209hha,2,6-dichlorobenzeneethanol,ksc493m0h,benzeneethanol,2,6-dichloro |
| IUPAC Name | 2-(2,6-dichlorophenyl)ethan-1-ol |
| InChI Key | ZBQPKQUIKJDGIX-UHFFFAOYSA-N |
| Molecular Formula | C8H8Cl2O |
D-Panthenol 98.0+%, TCI America™
CAS: 81-13-0 Molecular Formula: C9H19NO4 Molecular Weight (g/mol): 205.25 MDL Number: MFCD00065006 InChI Key: SNPLKNRPJHDVJA-ZETCQYMHSA-N Synonym: dexpanthenol,d-panthenol,pantothenol,bepanthen,d-pantothenyl alcohol,ilopan,+-panthenol,bepanthene,panthoderm,thenalton PubChem CID: 131204 ChEBI: CHEBI:27373 IUPAC Name: (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide SMILES: CC(C)(CO)[C@@H](O)C(=O)NCCCO
| PubChem CID | 131204 |
|---|---|
| CAS | 81-13-0 |
| Molecular Weight (g/mol) | 205.25 |
| ChEBI | CHEBI:27373 |
| MDL Number | MFCD00065006 |
| SMILES | CC(C)(CO)[C@@H](O)C(=O)NCCCO |
| Synonym | dexpanthenol,d-panthenol,pantothenol,bepanthen,d-pantothenyl alcohol,ilopan,+-panthenol,bepanthene,panthoderm,thenalton |
| IUPAC Name | (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide |
| InChI Key | SNPLKNRPJHDVJA-ZETCQYMHSA-N |
| Molecular Formula | C9H19NO4 |
Triethylene Glycol Monododecyl Ether 95.0+%, TCI America™
CAS: 3055-94-5 Molecular Formula: C18H38O4 Molecular Weight (g/mol): 318.50 MDL Number: MFCD00042659 InChI Key: FKMHSNTVILORFA-UHFFFAOYSA-N PubChem CID: 76458 IUPAC Name: 2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethan-1-ol SMILES: CCCCCCCCCCCCOCCOCCOCCO
| PubChem CID | 76458 |
|---|---|
| CAS | 3055-94-5 |
| Molecular Weight (g/mol) | 318.50 |
| MDL Number | MFCD00042659 |
| SMILES | CCCCCCCCCCCCOCCOCCOCCO |
| IUPAC Name | 2-{2-[2-(dodecyloxy)ethoxy]ethoxy}ethan-1-ol |
| InChI Key | FKMHSNTVILORFA-UHFFFAOYSA-N |
| Molecular Formula | C18H38O4 |
3,5-Dimethyl-1-adamantanol 97.0+%, TCI America™
CAS: 707-37-9 Molecular Formula: C12H20O Molecular Weight (g/mol): 180.291 MDL Number: MFCD00074775 InChI Key: LBWCITVBZLTEKW-UHFFFAOYSA-N Synonym: 1-Hydroxy-3,5-dimethyladamantane PubChem CID: 265793 IUPAC Name: 3,5-dimethyladamantan-1-ol SMILES: CC12CC3CC(C1)(CC(C3)(C2)O)C
| PubChem CID | 265793 |
|---|---|
| CAS | 707-37-9 |
| Molecular Weight (g/mol) | 180.291 |
| MDL Number | MFCD00074775 |
| SMILES | CC12CC3CC(C1)(CC(C3)(C2)O)C |
| Synonym | 1-Hydroxy-3,5-dimethyladamantane |
| IUPAC Name | 3,5-dimethyladamantan-1-ol |
| InChI Key | LBWCITVBZLTEKW-UHFFFAOYSA-N |
| Molecular Formula | C12H20O |
1-(p-Tolyl)ethanol 97.0+%, TCI America™
CAS: 536-50-5 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00016860 InChI Key: JESIHYIJKKUWIS-UHFFFAOYSA-N Synonym: 1-4-methylphenyl ethanol,1-p-tolyl ethanol,bilagen,galinex,norbilan,tomobil,methyl-p-tolylcarbinol,p-tolylmethylcarbinol,1-4-tolyl ethanol,1-p-tolyl-1-ethanol PubChem CID: 10817 IUPAC Name: 1-(4-methylphenyl)ethanol SMILES: CC1=CC=C(C=C1)C(C)O
| PubChem CID | 10817 |
|---|---|
| CAS | 536-50-5 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00016860 |
| SMILES | CC1=CC=C(C=C1)C(C)O |
| Synonym | 1-4-methylphenyl ethanol,1-p-tolyl ethanol,bilagen,galinex,norbilan,tomobil,methyl-p-tolylcarbinol,p-tolylmethylcarbinol,1-4-tolyl ethanol,1-p-tolyl-1-ethanol |
| IUPAC Name | 1-(4-methylphenyl)ethanol |
| InChI Key | JESIHYIJKKUWIS-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
5-Hydroxy-2-pentanone (mixture of monomer and dimer) 96.0+%, TCI America™
CAS: 1071-73-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00002961 InChI Key: JSHPTIGHEWEXRW-UHFFFAOYSA-N Synonym: 3-Acetyl-1-propanol PubChem CID: 14066 IUPAC Name: 5-hydroxypentan-2-one SMILES: CC(=O)CCCO
| PubChem CID | 14066 |
|---|---|
| CAS | 1071-73-4 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00002961 |
| SMILES | CC(=O)CCCO |
| Synonym | 3-Acetyl-1-propanol |
| IUPAC Name | 5-hydroxypentan-2-one |
| InChI Key | JSHPTIGHEWEXRW-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
3-Methoxycyclohexene 97.0+%, TCI America™
CAS: 2699-13-0 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.172 InChI Key: OKDKFTKUXADLSJ-UHFFFAOYSA-N PubChem CID: 137685 IUPAC Name: 3-methoxycyclohexene SMILES: COC1CCCC=C1
| PubChem CID | 137685 |
|---|---|
| CAS | 2699-13-0 |
| Molecular Weight (g/mol) | 112.172 |
| SMILES | COC1CCCC=C1 |
| IUPAC Name | 3-methoxycyclohexene |
| InChI Key | OKDKFTKUXADLSJ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O |
4-Chromanol 98.0+%, TCI America™
CAS: 1481-93-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00006849 InChI Key: MGSHXMOLUWTMGP-UHFFFAOYSA-N Synonym: 4-chromanol,chroman-4-ol,3,4-dihydro-2h-1-benzopyran-4-ol,4-hydroxychroman,2h-1-benzopyran-4-ol, 3,4-dihydro,acmc-20mukj,3'-carboxy-alpha-chromanol,2h-1-benzopyran-4-ol,3,4-dihydro PubChem CID: 92890 IUPAC Name: 3,4-dihydro-2H-chromen-4-ol SMILES: C1COC2=CC=CC=C2C1O
| PubChem CID | 92890 |
|---|---|
| CAS | 1481-93-2 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00006849 |
| SMILES | C1COC2=CC=CC=C2C1O |
| Synonym | 4-chromanol,chroman-4-ol,3,4-dihydro-2h-1-benzopyran-4-ol,4-hydroxychroman,2h-1-benzopyran-4-ol, 3,4-dihydro,acmc-20mukj,3'-carboxy-alpha-chromanol,2h-1-benzopyran-4-ol,3,4-dihydro |
| IUPAC Name | 3,4-dihydro-2H-chromen-4-ol |
| InChI Key | MGSHXMOLUWTMGP-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
2-Chloro-1,1,2-trifluoroethyl Ethyl Ether 98.0+%, TCI America™
CAS: 310-71-4 Molecular Formula: C4H6ClF3O Molecular Weight (g/mol): 162.536 MDL Number: MFCD00018849 InChI Key: WOKICPFFJCXEDW-UHFFFAOYSA-N PubChem CID: 136152 ChEBI: CHEBI:34266 IUPAC Name: 2-chloro-1-ethoxy-1,1,2-trifluoroethane SMILES: CCOC(C(F)Cl)(F)F
| PubChem CID | 136152 |
|---|---|
| CAS | 310-71-4 |
| Molecular Weight (g/mol) | 162.536 |
| ChEBI | CHEBI:34266 |
| MDL Number | MFCD00018849 |
| SMILES | CCOC(C(F)Cl)(F)F |
| IUPAC Name | 2-chloro-1-ethoxy-1,1,2-trifluoroethane |
| InChI Key | WOKICPFFJCXEDW-UHFFFAOYSA-N |
| Molecular Formula | C4H6ClF3O |
(+/-)-2-(6-Methoxy-2-naphthyl)propionic Acid 98.0+%, TCI America™
CAS: 23981-80-8 Molecular Formula: C14H14O3 Molecular Weight (g/mol): 230.263 MDL Number: MFCD00439456 InChI Key: CMWTZPSULFXXJA-UHFFFAOYSA-N Synonym: (+/-)-6-Methoxy-alpha-methyl-2-naphthaleneacetic Acid, (+/-)-Naproxen PubChem CID: 1302 IUPAC Name: 2-(6-methoxynaphthalen-2-yl)propanoic acid SMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O
| PubChem CID | 1302 |
|---|---|
| CAS | 23981-80-8 |
| Molecular Weight (g/mol) | 230.263 |
| MDL Number | MFCD00439456 |
| SMILES | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O |
| Synonym | (+/-)-6-Methoxy-alpha-methyl-2-naphthaleneacetic Acid, (+/-)-Naproxen |
| IUPAC Name | 2-(6-methoxynaphthalen-2-yl)propanoic acid |
| InChI Key | CMWTZPSULFXXJA-UHFFFAOYSA-N |
| Molecular Formula | C14H14O3 |
Methoxycyclohexane 98.0+%, TCI America™
CAS: 931-56-6 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.188 MDL Number: MFCD00154087 InChI Key: GHDIHPNJQVDFBL-UHFFFAOYSA-N PubChem CID: 13607 IUPAC Name: methoxycyclohexane SMILES: COC1CCCCC1
| PubChem CID | 13607 |
|---|---|
| CAS | 931-56-6 |
| Molecular Weight (g/mol) | 114.188 |
| MDL Number | MFCD00154087 |
| SMILES | COC1CCCCC1 |
| IUPAC Name | methoxycyclohexane |
| InChI Key | GHDIHPNJQVDFBL-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |