Organooxygen compounds
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2,2-Dimethyl-1,3-propanediol 98.0+%, TCI America™
CAS: 126-30-7 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00004685 InChI Key: SLCVBVWXLSEKPL-UHFFFAOYSA-N Synonym: neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol PubChem CID: 31344 IUPAC Name: 2,2-dimethylpropane-1,3-diol SMILES: CC(C)(CO)CO
| PubChem CID | 31344 |
|---|---|
| CAS | 126-30-7 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00004685 |
| SMILES | CC(C)(CO)CO |
| Synonym | neopentyl glycol,2,2-dimethyl-1,3-propanediol,dimethylolpropane,neopentylene glycol,neopentanediol,neopentylglycol,1,3-propanediol, 2,2-dimethyl,neol,hydroxypivalyl alcohol,dimethyltrimethylene glycol |
| IUPAC Name | 2,2-dimethylpropane-1,3-diol |
| InChI Key | SLCVBVWXLSEKPL-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
2-Phenyl-1,3-propanediol 98.0+%, TCI America™
CAS: 1570-95-2 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00236056 InChI Key: BPBDZXFJDMJLIB-UHFFFAOYSA-N Synonym: 2-phenyl-1,3-propanediol,2-phenyl-1,3-propanediole,2-phenyl-propane-1,3-diol,2-phenyl-1,3-propane diol,unii-9f93674jbb,1,3-propanediol, 2-phenyl,phenylpropanediol,pubchem20386,rarechem al bd 1370,acmc-1bz5a PubChem CID: 254178 IUPAC Name: 2-phenylpropane-1,3-diol SMILES: C1=CC=C(C=C1)C(CO)CO
| PubChem CID | 254178 |
|---|---|
| CAS | 1570-95-2 |
| Molecular Weight (g/mol) | 152.193 |
| MDL Number | MFCD00236056 |
| SMILES | C1=CC=C(C=C1)C(CO)CO |
| Synonym | 2-phenyl-1,3-propanediol,2-phenyl-1,3-propanediole,2-phenyl-propane-1,3-diol,2-phenyl-1,3-propane diol,unii-9f93674jbb,1,3-propanediol, 2-phenyl,phenylpropanediol,pubchem20386,rarechem al bd 1370,acmc-1bz5a |
| IUPAC Name | 2-phenylpropane-1,3-diol |
| InChI Key | BPBDZXFJDMJLIB-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
3-Cyclohexyl-1-propanol 99.0+%, TCI America™
CAS: 1124-63-6 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.242 MDL Number: MFCD00001528 InChI Key: CLYAQFSQLQTVNO-UHFFFAOYSA-N Synonym: cyclohexanepropanol,3-cyclohexyl-1-propanol,3-cyclohexylpropanol,unii-kjb3vo906f,kjb3vo906f,cyclohexylpropyl alcohol,3-hydroxypropylcyclohexane,3-cyclohexylpropyl alcohol,acmc-1c5ti PubChem CID: 70763 IUPAC Name: 3-cyclohexylpropan-1-ol SMILES: C1CCC(CC1)CCCO
| PubChem CID | 70763 |
|---|---|
| CAS | 1124-63-6 |
| Molecular Weight (g/mol) | 142.242 |
| MDL Number | MFCD00001528 |
| SMILES | C1CCC(CC1)CCCO |
| Synonym | cyclohexanepropanol,3-cyclohexyl-1-propanol,3-cyclohexylpropanol,unii-kjb3vo906f,kjb3vo906f,cyclohexylpropyl alcohol,3-hydroxypropylcyclohexane,3-cyclohexylpropyl alcohol,acmc-1c5ti |
| IUPAC Name | 3-cyclohexylpropan-1-ol |
| InChI Key | CLYAQFSQLQTVNO-UHFFFAOYSA-N |
| Molecular Formula | C9H18O |
2-(m-Tolyl)ethanol 98.0+%, TCI America™
CAS: 1875-89-4 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002896 InChI Key: KWHVBVJDKLSOTB-UHFFFAOYSA-N Synonym: 3-Methylphenethyl Alcohol, 2-(3-Methylphenyl)ethyl Alcohol, 2-(3-Methylphenyl)ethanol PubChem CID: 74648 IUPAC Name: 2-(3-methylphenyl)ethanol SMILES: CC1=CC(=CC=C1)CCO
| PubChem CID | 74648 |
|---|---|
| CAS | 1875-89-4 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00002896 |
| SMILES | CC1=CC(=CC=C1)CCO |
| Synonym | 3-Methylphenethyl Alcohol, 2-(3-Methylphenyl)ethyl Alcohol, 2-(3-Methylphenyl)ethanol |
| IUPAC Name | 2-(3-methylphenyl)ethanol |
| InChI Key | KWHVBVJDKLSOTB-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
DL-4-Hydroxy-3-methoxymandelic Acid 98.0+%, TCI America™
CAS: 55-10-7 Molecular Formula: C9H9O5 Molecular Weight (g/mol): 197.17 MDL Number: MFCD00004235 InChI Key: CGQCWMIAEPEHNQ-QMMMGPOBSA-M Synonym: vanillylmandelic acid,vanilmandelic acid,dl-4-hydroxy-3-methoxymandelic acid,2-hydroxy-2-4-hydroxy-3-methoxyphenyl acetic acid,4-hydroxy-3-methoxymandelic acid,vanillomandelic acid,+/--vanillylmandelic acid,vma,alpha,4-dihydroxy-3-methoxybenzeneacetic acid,benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy PubChem CID: 1245 ChEBI: CHEBI:20106 IUPAC Name: (2S)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate SMILES: COC1=CC(=CC=C1O)[C@H](O)C([O-])=O
| PubChem CID | 1245 |
|---|---|
| CAS | 55-10-7 |
| Molecular Weight (g/mol) | 197.17 |
| ChEBI | CHEBI:20106 |
| MDL Number | MFCD00004235 |
| SMILES | COC1=CC(=CC=C1O)[C@H](O)C([O-])=O |
| Synonym | vanillylmandelic acid,vanilmandelic acid,dl-4-hydroxy-3-methoxymandelic acid,2-hydroxy-2-4-hydroxy-3-methoxyphenyl acetic acid,4-hydroxy-3-methoxymandelic acid,vanillomandelic acid,+/--vanillylmandelic acid,vma,alpha,4-dihydroxy-3-methoxybenzeneacetic acid,benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy |
| IUPAC Name | (2S)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate |
| InChI Key | CGQCWMIAEPEHNQ-QMMMGPOBSA-M |
| Molecular Formula | C9H9O5 |
5-Norbornene-2,3-dimethanol (mixture of endo- and exo-, predominantly endo-isomer) 95.0+%, TCI America™
CAS: 85-39-2 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.209 InChI Key: IGHHPVIMEQGKNE-UHFFFAOYSA-N Synonym: Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol, 2,3-Bis(hydroxymethyl)-5-norbornene PubChem CID: 97724 IUPAC Name: [3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol SMILES: C1C2C=CC1C(C2CO)CO
| PubChem CID | 97724 |
|---|---|
| CAS | 85-39-2 |
| Molecular Weight (g/mol) | 154.209 |
| SMILES | C1C2C=CC1C(C2CO)CO |
| Synonym | Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol, 2,3-Bis(hydroxymethyl)-5-norbornene |
| IUPAC Name | [3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol |
| InChI Key | IGHHPVIMEQGKNE-UHFFFAOYSA-N |
| Molecular Formula | C9H14O2 |
4-Amino-2-methyl-1-butanol 98.0+%, TCI America™
CAS: 44565-27-7 Molecular Formula: C5H13NO Molecular Weight (g/mol): 103.17 MDL Number: MFCD03093615 InChI Key: DUAXLVGFFDFSAG-UHFFFAOYNA-N PubChem CID: 10129911 IUPAC Name: 4-amino-2-methylbutan-1-ol SMILES: CC(CO)CCN
| PubChem CID | 10129911 |
|---|---|
| CAS | 44565-27-7 |
| Molecular Weight (g/mol) | 103.17 |
| MDL Number | MFCD03093615 |
| SMILES | CC(CO)CCN |
| IUPAC Name | 4-amino-2-methylbutan-1-ol |
| InChI Key | DUAXLVGFFDFSAG-UHFFFAOYNA-N |
| Molecular Formula | C5H13NO |
2-Ethylcyclohexanol (cis- and trans- mixture) 97.0+%, TCI America™
CAS: 3760-20-1 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00001445 InChI Key: CFYUBZHJDXXXQE-UHFFFAOYSA-N PubChem CID: 19576 IUPAC Name: 2-ethylcyclohexan-1-ol SMILES: CCC1CCCCC1O
| PubChem CID | 19576 |
|---|---|
| CAS | 3760-20-1 |
| Molecular Weight (g/mol) | 128.215 |
| MDL Number | MFCD00001445 |
| SMILES | CCC1CCCCC1O |
| IUPAC Name | 2-ethylcyclohexan-1-ol |
| InChI Key | CFYUBZHJDXXXQE-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
1,3,5-Cyclohexanetriol (cis- and trans- mixture) 95.0+%, TCI America™
CAS: 2041-15-8 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00043062,MFCD00070580 InChI Key: FSDSKERRNURGGO-UHFFFAOYSA-N PubChem CID: 230351 IUPAC Name: cyclohexane-1,3,5-triol SMILES: OC1CC(O)CC(O)C1
| PubChem CID | 230351 |
|---|---|
| CAS | 2041-15-8 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00043062,MFCD00070580 |
| SMILES | OC1CC(O)CC(O)C1 |
| IUPAC Name | cyclohexane-1,3,5-triol |
| InChI Key | FSDSKERRNURGGO-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
Ethyl L-(+)-Mandelate 98.0+%, TCI America™
CAS: 13704-09-1 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00064249 InChI Key: SAXHIDRUJXPDOD-VIFPVBQESA-N Synonym: L-(+)-Mandelic Acid Ethyl Ester PubChem CID: 6951557 ChEBI: CHEBI:78405 IUPAC Name: ethyl (2S)-2-hydroxy-2-phenylacetate SMILES: CCOC(=O)C(C1=CC=CC=C1)O
| PubChem CID | 6951557 |
|---|---|
| CAS | 13704-09-1 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:78405 |
| MDL Number | MFCD00064249 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1)O |
| Synonym | L-(+)-Mandelic Acid Ethyl Ester |
| IUPAC Name | ethyl (2S)-2-hydroxy-2-phenylacetate |
| InChI Key | SAXHIDRUJXPDOD-VIFPVBQESA-N |
| Molecular Formula | C10H12O3 |
2-(Bromomethyl)-2-(hydroxymethyl)-1,3-propanediol 98.0+%, TCI America™
CAS: 19184-65-7 Molecular Formula: C5H11BrO3 Molecular Weight (g/mol): 199.044 MDL Number: MFCD00135306 InChI Key: MMHHBAUIJVTLFZ-UHFFFAOYSA-N Synonym: 2-bromomethyl-2-hydroxymethyl propane-1,3-diol,2-bromomethyl-2-hydroxymethyl-1,3-propanediol,1,3-propanediol, 2-bromomethyl-2-hydroxymethyl,tris hydroxymethyl bromomethyl methane,monobromoneopentyltriol,2-bromoethylidynetrimethanol,pentaerythritol monobromohydrin,1, 2-bromomethyl-2-hydroxymethyl,2,2-bis hydroxymethyl-3-bromopropan-1-ol,2,2-bis hydroxymethyl-3-hydroxypropyl bromide PubChem CID: 87954 IUPAC Name: 2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol SMILES: C(C(CO)(CO)CBr)O
| PubChem CID | 87954 |
|---|---|
| CAS | 19184-65-7 |
| Molecular Weight (g/mol) | 199.044 |
| MDL Number | MFCD00135306 |
| SMILES | C(C(CO)(CO)CBr)O |
| Synonym | 2-bromomethyl-2-hydroxymethyl propane-1,3-diol,2-bromomethyl-2-hydroxymethyl-1,3-propanediol,1,3-propanediol, 2-bromomethyl-2-hydroxymethyl,tris hydroxymethyl bromomethyl methane,monobromoneopentyltriol,2-bromoethylidynetrimethanol,pentaerythritol monobromohydrin,1, 2-bromomethyl-2-hydroxymethyl,2,2-bis hydroxymethyl-3-bromopropan-1-ol,2,2-bis hydroxymethyl-3-hydroxypropyl bromide |
| IUPAC Name | 2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol |
| InChI Key | MMHHBAUIJVTLFZ-UHFFFAOYSA-N |
| Molecular Formula | C5H11BrO3 |
DL-2-Methyl-1-butanol (Synthetic) 97.0+%, TCI America™
CAS: 137-32-6 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004743 InChI Key: QPRQEDXDYOZYLA-UHFFFAOYSA-N Synonym: 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol PubChem CID: 8723 ChEBI: CHEBI:48945 IUPAC Name: 2-methylbutan-1-ol SMILES: CCC(C)CO
| PubChem CID | 8723 |
|---|---|
| CAS | 137-32-6 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:48945 |
| MDL Number | MFCD00004743 |
| SMILES | CCC(C)CO |
| Synonym | 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol |
| IUPAC Name | 2-methylbutan-1-ol |
| InChI Key | QPRQEDXDYOZYLA-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
trans-2-Butene-1,4-diol 95.0+%, TCI America™
CAS: 821-11-4 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00063207 InChI Key: ORTVZLZNOYNASJ-OWOJBTEDSA-N Synonym: trans-1,4-Dihydroxy-2-butene PubChem CID: 175854 IUPAC Name: (E)-but-2-ene-1,4-diol SMILES: C(C=CCO)O
| PubChem CID | 175854 |
|---|---|
| CAS | 821-11-4 |
| Molecular Weight (g/mol) | 88.106 |
| MDL Number | MFCD00063207 |
| SMILES | C(C=CCO)O |
| Synonym | trans-1,4-Dihydroxy-2-butene |
| IUPAC Name | (E)-but-2-ene-1,4-diol |
| InChI Key | ORTVZLZNOYNASJ-OWOJBTEDSA-N |
| Molecular Formula | C4H8O2 |
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 |
(S)-(-)-3-Chloro-1-phenyl-1-propanol 98.0+%, TCI America™
CAS: 100306-34-1 Molecular Formula: C9H11ClO Molecular Weight (g/mol): 170.636 MDL Number: MFCD00013309 InChI Key: JZFUHAGLMZWKTF-VIFPVBQESA-N Synonym: s---3-chloro-1-phenyl-1-propanol,s-3-chloro-1-phenylpropan-1-ol,s-3-chloro-1-phenyl-1-propanol,1s-3-chloro-1-phenylpropan-1-ol,1s-3-chloro-1-phenyl-propan-1-ol,s-3-chloro-1-phenylpropanol,s-3-chloro-1-phenyl-propan-1-ol,pubchem6275 PubChem CID: 2777894 IUPAC Name: (1S)-3-chloro-1-phenylpropan-1-ol SMILES: C1=CC=C(C=C1)C(CCCl)O
| PubChem CID | 2777894 |
|---|---|
| CAS | 100306-34-1 |
| Molecular Weight (g/mol) | 170.636 |
| MDL Number | MFCD00013309 |
| SMILES | C1=CC=C(C=C1)C(CCCl)O |
| Synonym | s---3-chloro-1-phenyl-1-propanol,s-3-chloro-1-phenylpropan-1-ol,s-3-chloro-1-phenyl-1-propanol,1s-3-chloro-1-phenylpropan-1-ol,1s-3-chloro-1-phenyl-propan-1-ol,s-3-chloro-1-phenylpropanol,s-3-chloro-1-phenyl-propan-1-ol,pubchem6275 |
| IUPAC Name | (1S)-3-chloro-1-phenylpropan-1-ol |
| InChI Key | JZFUHAGLMZWKTF-VIFPVBQESA-N |
| Molecular Formula | C9H11ClO |