Organooxygen compounds
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cis,cis-1,3,5-Cyclohexanetriol dihydrate, 98%, Thermo Scientific Chemicals
CAS: 60662-54-6 Molecular Formula: C6H12O3·2H2O Molecular Weight (g/mol): 168.19 InChI Key: MAPLMYMZLRIJSP-UHFFFAOYSA-N Synonym: cis,cis-1,3,5-cyclohexanetriol dihydrate,cis,cis-1,3,5-trihydroxycyclohexane,cis-phloroglucitol,1s,3s,5s-cyclohexane-1,3,5-triol dihydrate,ciscis-135-cyclohexanetrioldihydrate,cyclohexane-1,3,5-triol dihydrate,cyclohexane-1,3,5-triol-water 1/2,cis cis-1 3 5-cyclohexanetriol dihydrate,1r,3s,5s-cyclohexane-1,3,5-triol dihydrate PubChem CID: 16211857 IUPAC Name: cyclohexane-1,3,5-triol;dihydrate SMILES: C1C(CC(CC1O)O)O.O.O
| PubChem CID | 16211857 |
|---|---|
| CAS | 60662-54-6 |
| Molecular Weight (g/mol) | 168.19 |
| SMILES | C1C(CC(CC1O)O)O.O.O |
| Synonym | cis,cis-1,3,5-cyclohexanetriol dihydrate,cis,cis-1,3,5-trihydroxycyclohexane,cis-phloroglucitol,1s,3s,5s-cyclohexane-1,3,5-triol dihydrate,ciscis-135-cyclohexanetrioldihydrate,cyclohexane-1,3,5-triol dihydrate,cyclohexane-1,3,5-triol-water 1/2,cis cis-1 3 5-cyclohexanetriol dihydrate,1r,3s,5s-cyclohexane-1,3,5-triol dihydrate |
| IUPAC Name | cyclohexane-1,3,5-triol;dihydrate |
| InChI Key | MAPLMYMZLRIJSP-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3·2H2O |
Riboflavin, USP, 98-102%, Spectrum™ Chemical
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CAS: 83-88-5 Molecular Formula: C17H20N4O6 Molecular Weight (g/mol): 376.37 MDL Number: MFCD00005022 InChI Key: AUNGANRZJHBGPY-QTZZOOGMNA-N IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
| CAS | 83-88-5 |
|---|---|
| Molecular Weight (g/mol) | 376.37 |
| MDL Number | MFCD00005022 |
| SMILES | CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 |
| IUPAC Name | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione |
| InChI Key | AUNGANRZJHBGPY-QTZZOOGMNA-N |
| Molecular Formula | C17H20N4O6 |
(R)-(+)-3-chloro-1-phenyl-1-propanol, 97%
CAS: 100306-33-0 Molecular Formula: C9H11ClO Molecular Weight (g/mol): 170.64 InChI Key: JZFUHAGLMZWKTF-SECBINFHSA-N Synonym: r-3-chloro-1-phenylpropan-1-ol,r-+-3-chloro-1-phenyl-1-propanol,r-+-3-chloro-1-phenylpropanol,1r-3-chloro-1-phenylpropan-1-ol,1r-3-chloro-1-phenyl-propan-1-ol,r-3-chloro-1-phenyl-1-propanol,r-3-chloro-1-phenyl-propan-1-ol,r-3-chloro-1-phenylpropanol,pubchem5738 PubChem CID: 642409 IUPAC Name: (1R)-3-chloro-1-phenylpropan-1-ol SMILES: C1=CC=C(C=C1)C(CCCl)O
| PubChem CID | 642409 |
|---|---|
| CAS | 100306-33-0 |
| Molecular Weight (g/mol) | 170.64 |
| SMILES | C1=CC=C(C=C1)C(CCCl)O |
| Synonym | r-3-chloro-1-phenylpropan-1-ol,r-+-3-chloro-1-phenyl-1-propanol,r-+-3-chloro-1-phenylpropanol,1r-3-chloro-1-phenylpropan-1-ol,1r-3-chloro-1-phenyl-propan-1-ol,r-3-chloro-1-phenyl-1-propanol,r-3-chloro-1-phenyl-propan-1-ol,r-3-chloro-1-phenylpropanol,pubchem5738 |
| IUPAC Name | (1R)-3-chloro-1-phenylpropan-1-ol |
| InChI Key | JZFUHAGLMZWKTF-SECBINFHSA-N |
| Molecular Formula | C9H11ClO |
Roseoflavin, ≥97%, MP Biomedicals™
CAS: 51093-55-1 Molecular Formula: C18H23N5O6 Molecular Weight (g/mol): 405.411 InChI Key: IGQLDUYTWDABFK-GUTXKFCHSA-N Synonym: roseoflavin,roseoflavine,8-demethyl-8-dimethylamino riboflavin,1-deoxy-1-8-dimethylamino-7-methyl-2,4-dioxo-3,4-dihydrobenzo g pteridin-10 2h-yl-d-ribitol PubChem CID: 49867612 ChEBI: CHEBI:72346 IUPAC Name: 8-(dimethylamino)-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione SMILES: CC1=CC2=C(C=C1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
| PubChem CID | 49867612 |
|---|---|
| CAS | 51093-55-1 |
| Molecular Weight (g/mol) | 405.411 |
| ChEBI | CHEBI:72346 |
| SMILES | CC1=CC2=C(C=C1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O |
| Synonym | roseoflavin,roseoflavine,8-demethyl-8-dimethylamino riboflavin,1-deoxy-1-8-dimethylamino-7-methyl-2,4-dioxo-3,4-dihydrobenzo g pteridin-10 2h-yl-d-ribitol |
| IUPAC Name | 8-(dimethylamino)-7-methyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione |
| InChI Key | IGQLDUYTWDABFK-GUTXKFCHSA-N |
| Molecular Formula | C18H23N5O6 |
3-Ethyl-3-pentanol, 97%
CAS: 597-49-9 Molecular Formula: C7H16O Molecular Weight (g/mol): 116.20 MDL Number: MFCD00004484 InChI Key: XKIRHOWVQWCYBT-UHFFFAOYSA-N Synonym: 3-ethyl-3-pentanol,triethylcarbinol,3-pentanol, 3-ethyl,triethylmethanol,triethylmethyl alcohol,tert-heptanol,3-aethyl-pentanol-3,3-aethyl-pentanol-3 german,3-ethyl-3-hydroxypentane,ethyl-3 pentanol-3 PubChem CID: 11702 IUPAC Name: 3-ethylpentan-3-ol SMILES: CCC(O)(CC)CC
| PubChem CID | 11702 |
|---|---|
| CAS | 597-49-9 |
| Molecular Weight (g/mol) | 116.20 |
| MDL Number | MFCD00004484 |
| SMILES | CCC(O)(CC)CC |
| Synonym | 3-ethyl-3-pentanol,triethylcarbinol,3-pentanol, 3-ethyl,triethylmethanol,triethylmethyl alcohol,tert-heptanol,3-aethyl-pentanol-3,3-aethyl-pentanol-3 german,3-ethyl-3-hydroxypentane,ethyl-3 pentanol-3 |
| IUPAC Name | 3-ethylpentan-3-ol |
| InChI Key | XKIRHOWVQWCYBT-UHFFFAOYSA-N |
| Molecular Formula | C7H16O |
tert-Butyl Alcohol, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™
CAS: 75-65-0 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.123 InChI Key: DKGAVHZHDRPRBM-UHFFFAOYSA-N Synonym: tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol PubChem CID: 6386 ChEBI: CHEBI:45895 IUPAC Name: 2-methylpropan-2-ol SMILES: CC(C)(C)O
| PubChem CID | 6386 |
|---|---|
| CAS | 75-65-0 |
| Molecular Weight (g/mol) | 74.123 |
| ChEBI | CHEBI:45895 |
| SMILES | CC(C)(C)O |
| Synonym | tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol |
| IUPAC Name | 2-methylpropan-2-ol |
| InChI Key | DKGAVHZHDRPRBM-UHFFFAOYSA-N |
| Molecular Formula | C4H10O |
| CAS | 5223-06-3 |
|---|---|
| MDL Number | MFCD00129040 |
2-(1-Naphthyl)ethanol, 95%, Thermo Scientific Chemicals
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 |
(+/-)-Ethyl mandelate, 97%
CAS: 774-40-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00004494 InChI Key: SAXHIDRUJXPDOD-UHFFFAOYSA-N Synonym: ethyl mandelate,ethyl phenylglycolate,mandelic acid, ethyl ester,dl-mandelic acid ethyl ester,mandelic acid ethyl ester,ethyl dl-mandelate,mandelsaeureaethylester,ethyl hydroxy phenyl acetate,mandelsaeureaethylester german,+-ethyl mandelate PubChem CID: 13050 ChEBI: CHEBI:38750 IUPAC Name: ethyl 2-hydroxy-2-phenylacetate SMILES: CCOC(=O)C(C1=CC=CC=C1)O
| PubChem CID | 13050 |
|---|---|
| CAS | 774-40-3 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:38750 |
| MDL Number | MFCD00004494 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1)O |
| Synonym | ethyl mandelate,ethyl phenylglycolate,mandelic acid, ethyl ester,dl-mandelic acid ethyl ester,mandelic acid ethyl ester,ethyl dl-mandelate,mandelsaeureaethylester,ethyl hydroxy phenyl acetate,mandelsaeureaethylester german,+-ethyl mandelate |
| IUPAC Name | ethyl 2-hydroxy-2-phenylacetate |
| InChI Key | SAXHIDRUJXPDOD-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
6-Quinolinylmethanol, 97%, Thermo Scientific™
CAS: 100516-88-9 Molecular Formula: C10H9NO Molecular Weight (g/mol): 159.188 MDL Number: MFCD03789621 InChI Key: YQEJIIUSNDZIGO-UHFFFAOYSA-N Synonym: 6-quinolinylmethanol,6-quinolinemethanol,6-hydroxymethylquinoline,quinolin-6-yl methanol,6-quinolylmethanol,pubchem12427,quinolin-6-yl-methanol,6-hydroxymethyl quinoline,6-hydroxymethyl-quinoline PubChem CID: 1514385 IUPAC Name: quinolin-6-ylmethanol SMILES: C1=CC2=C(C=CC(=C2)CO)N=C1
| PubChem CID | 1514385 |
|---|---|
| CAS | 100516-88-9 |
| Molecular Weight (g/mol) | 159.188 |
| MDL Number | MFCD03789621 |
| SMILES | C1=CC2=C(C=CC(=C2)CO)N=C1 |
| Synonym | 6-quinolinylmethanol,6-quinolinemethanol,6-hydroxymethylquinoline,quinolin-6-yl methanol,6-quinolylmethanol,pubchem12427,quinolin-6-yl-methanol,6-hydroxymethyl quinoline,6-hydroxymethyl-quinoline |
| IUPAC Name | quinolin-6-ylmethanol |
| InChI Key | YQEJIIUSNDZIGO-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO |
Hafnium tert-butoxide, 99.9% (metals basis excluding Zr), Zr< 0.5%
CAS: 2172-02-3 MDL Number: MFCD00070458
| CAS | 2172-02-3 |
|---|---|
| MDL Number | MFCD00070458 |
2-Hydroxyisobutyric acid, 98%
CAS: 594-61-6 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00004459 InChI Key: BWLBGMIXKSTLSX-UHFFFAOYSA-N Synonym: 2-hydroxyisobutyric acid,2-methyllactic acid,acetonic acid,2-hydroxy-2-methylpropionic acid,alpha-hydroxyisobutyric acid,hydroxydimethylacetic acid,acetonate,propanoic acid, 2-hydroxy-2-methyl,alpha-hydroxyisobutanoic acid,2-hydroxyisobutyricacid PubChem CID: 11671 ChEBI: CHEBI:50129 IUPAC Name: 2-hydroxy-2-methylpropanoic acid SMILES: CC(C)(O)C(O)=O
| PubChem CID | 11671 |
|---|---|
| CAS | 594-61-6 |
| Molecular Weight (g/mol) | 104.11 |
| ChEBI | CHEBI:50129 |
| MDL Number | MFCD00004459 |
| SMILES | CC(C)(O)C(O)=O |
| Synonym | 2-hydroxyisobutyric acid,2-methyllactic acid,acetonic acid,2-hydroxy-2-methylpropionic acid,alpha-hydroxyisobutyric acid,hydroxydimethylacetic acid,acetonate,propanoic acid, 2-hydroxy-2-methyl,alpha-hydroxyisobutanoic acid,2-hydroxyisobutyricacid |
| IUPAC Name | 2-hydroxy-2-methylpropanoic acid |
| InChI Key | BWLBGMIXKSTLSX-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
Cyclobutanemethanol, 99%
CAS: 4415-82-1 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.134 MDL Number: MFCD00001330 InChI Key: WPOPOPFNZYPKAV-UHFFFAOYSA-N Synonym: cyclobutanemethanol,hydroxymethylcyclobutane,cyclobutylcarbinol,hydroxymethyl cyclobutane,cyclobutyl methanol,cyclobutyl-methanol,cyclobutanecarbinol,cyclobutane carbinol,pubchem23465 PubChem CID: 78130 IUPAC Name: cyclobutylmethanol SMILES: C1CC(C1)CO
| PubChem CID | 78130 |
|---|---|
| CAS | 4415-82-1 |
| Molecular Weight (g/mol) | 86.134 |
| MDL Number | MFCD00001330 |
| SMILES | C1CC(C1)CO |
| Synonym | cyclobutanemethanol,hydroxymethylcyclobutane,cyclobutylcarbinol,hydroxymethyl cyclobutane,cyclobutyl methanol,cyclobutyl-methanol,cyclobutanecarbinol,cyclobutane carbinol,pubchem23465 |
| IUPAC Name | cyclobutylmethanol |
| InChI Key | WPOPOPFNZYPKAV-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
4-Pyridinepropanol, Thermo Scientific Chemicals
CAS: 2629-72-3 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 InChI Key: PZVZGDBCMQBRMA-UHFFFAOYSA-N IUPAC Name: 3-(pyridin-4-yl)propan-1-ol SMILES: OCCCC1=CC=NC=C1
| CAS | 2629-72-3 |
|---|---|
| Molecular Weight (g/mol) | 137.18 |
| SMILES | OCCCC1=CC=NC=C1 |
| IUPAC Name | 3-(pyridin-4-yl)propan-1-ol |
| InChI Key | PZVZGDBCMQBRMA-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
Triethyl orthoformate, 98%, anhydrous, AcroSeal™
CAS: 122-51-0 Molecular Formula: C7H16O3 Molecular Weight (g/mol): 148.2 InChI Key: GKASDNZWUGIAMG-UHFFFAOYSA-N Synonym: triethyl orthoformate,triethoxymethane,ethyl orthoformate,aethon,ethone,diethoxymethoxy ethane,methane, triethoxy,ethyl formate ortho,orthoformic acid triethyl ester,orthomravencan ethylnaty PubChem CID: 31214 IUPAC Name: diethoxymethoxyethane SMILES: CCOC(OCC)OCC
| PubChem CID | 31214 |
|---|---|
| CAS | 122-51-0 |
| Molecular Weight (g/mol) | 148.2 |
| SMILES | CCOC(OCC)OCC |
| Synonym | triethyl orthoformate,triethoxymethane,ethyl orthoformate,aethon,ethone,diethoxymethoxy ethane,methane, triethoxy,ethyl formate ortho,orthoformic acid triethyl ester,orthomravencan ethylnaty |
| IUPAC Name | diethoxymethoxyethane |
| InChI Key | GKASDNZWUGIAMG-UHFFFAOYSA-N |
| Molecular Formula | C7H16O3 |