Organooxygen compounds
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tert-Butyl alcohol, anhydrous, 99.5%, packaged under Argon in resealable ChemSeal™ bottles
CAS: 75-65-0 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.123 MDL Number: MFCD00004464 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 |
| MDL Number | MFCD00004464 |
| 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 |
Cobalt(II) 2-methoxyethoxide, 5% w/v in 2-methoxyethanol, 99% (m.b.), packaged under Ar in resealable ChemSeal bottles, Thermo Scientific Chemicals
CAS: 142600-61-1 Molecular Formula: C6H14CoO4 Molecular Weight (g/mol): 209.107 MDL Number: MFCD00798554 InChI Key: BFBNUELICQBJBC-UHFFFAOYSA-N Synonym: cobalt ii 2-methoxyethoxide PubChem CID: 131873636 IUPAC Name: cobalt(2+);2-methoxyethanolate SMILES: COCC[O-].COCC[O-].[Co+2]
| PubChem CID | 131873636 |
|---|---|
| CAS | 142600-61-1 |
| Molecular Weight (g/mol) | 209.107 |
| MDL Number | MFCD00798554 |
| SMILES | COCC[O-].COCC[O-].[Co+2] |
| Synonym | cobalt ii 2-methoxyethoxide |
| IUPAC Name | cobalt(2+);2-methoxyethanolate |
| InChI Key | BFBNUELICQBJBC-UHFFFAOYSA-N |
| Molecular Formula | C6H14CoO4 |
Ethanediol, Certified AR for Analysis, Fisher Chemical™
CAS: 107-21-1 Molecular Formula: C2H6O2 Molecular Weight (g/mol): 62.068 MDL Number: 2885 InChI Key: LYCAIKOWRPUZTN-UHFFFAOYSA-N Synonym: ethylene glycol,1,2-ethanediol,glycol,monoethylene glycol,1,2-dihydroxyethane,2-hydroxyethanol,glycol alcohol,ethylene alcohol,fridex,tescol PubChem CID: 174 ChEBI: CHEBI:30742 IUPAC Name: ethane-1,2-diol SMILES: C(CO)O
| PubChem CID | 174 |
|---|---|
| CAS | 107-21-1 |
| Molecular Weight (g/mol) | 62.068 |
| ChEBI | CHEBI:30742 |
| MDL Number | 2885 |
| SMILES | C(CO)O |
| Synonym | ethylene glycol,1,2-ethanediol,glycol,monoethylene glycol,1,2-dihydroxyethane,2-hydroxyethanol,glycol alcohol,ethylene alcohol,fridex,tescol |
| IUPAC Name | ethane-1,2-diol |
| InChI Key | LYCAIKOWRPUZTN-UHFFFAOYSA-N |
| Molecular Formula | C2H6O2 |
Vanillin, 99%, pure
CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N Synonym: vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde PubChem CID: 1183 ChEBI: CHEBI:18346 IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O
| PubChem CID | 1183 |
|---|---|
| CAS | 121-33-5 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:18346 |
| MDL Number | MFCD00006942,MFCD08702848 |
| SMILES | COC1=CC(C=O)=CC=C1O |
| Synonym | vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde |
| IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
| InChI Key | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Thermo Scientific Chemicals Inositol, 98+%
CAS: 87-89-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00077932 InChI Key: CDAISMWEOUEBRE-UHFFFAOYSA-N Synonym: scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol PubChem CID: 892 ChEBI: CHEBI:24848 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
| PubChem CID | 892 |
|---|---|
| CAS | 87-89-8 |
| Molecular Weight (g/mol) | 180.16 |
| ChEBI | CHEBI:24848 |
| MDL Number | MFCD00077932 |
| SMILES | C1(C(C(C(C(C1O)O)O)O)O)O |
| Synonym | scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexol |
| InChI Key | CDAISMWEOUEBRE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O6 |
18-Crown-6, 99%
CAS: 17455-13-9 Molecular Formula: C12H24O6 Molecular Weight (g/mol): 264.32 MDL Number: MFCD00005113 InChI Key: XEZNGIUYQVAUSS-UHFFFAOYSA-N Synonym: 18-crown-6,18-crown-6 ether,ethylene oxide cyclic hexamer,18-crown-6-ether,unii-63j177nc5b,ccris 3587,18-crown 6-ether,1,4,7,10,13,16-hexanoxacyclooctadecane,18-crown-6/1,4,7,10,13,16-hexaoxacyclooctadecane PubChem CID: 28557 ChEBI: CHEBI:32397 IUPAC Name: 1,4,7,10,13,16-hexaoxacyclooctadecane SMILES: C1COCCOCCOCCOCCOCCO1
| PubChem CID | 28557 |
|---|---|
| CAS | 17455-13-9 |
| Molecular Weight (g/mol) | 264.32 |
| ChEBI | CHEBI:32397 |
| MDL Number | MFCD00005113 |
| SMILES | C1COCCOCCOCCOCCOCCO1 |
| Synonym | 18-crown-6,18-crown-6 ether,ethylene oxide cyclic hexamer,18-crown-6-ether,unii-63j177nc5b,ccris 3587,18-crown 6-ether,1,4,7,10,13,16-hexanoxacyclooctadecane,18-crown-6/1,4,7,10,13,16-hexaoxacyclooctadecane |
| IUPAC Name | 1,4,7,10,13,16-hexaoxacyclooctadecane |
| InChI Key | XEZNGIUYQVAUSS-UHFFFAOYSA-N |
| Molecular Formula | C12H24O6 |
Diethylene glycol, 99%, extra pure
CAS: 111-46-6 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.12 MDL Number: MFCD00002882 InChI Key: MTHSVFCYNBDYFN-UHFFFAOYSA-N Synonym: diethylene glycol,2,2'-oxydiethanol,diglycol,diethylenglykol,2-hydroxyethyl ether,bis 2-hydroxyethyl ether,ethanol, 2,2'-oxybis,2,2'-oxybisethanol,2-2-hydroxyethoxy ethanol,digol PubChem CID: 8117 ChEBI: CHEBI:46807 SMILES: OCCOCCO
| PubChem CID | 8117 |
|---|---|
| CAS | 111-46-6 |
| Molecular Weight (g/mol) | 106.12 |
| ChEBI | CHEBI:46807 |
| MDL Number | MFCD00002882 |
| SMILES | OCCOCCO |
| Synonym | diethylene glycol,2,2'-oxydiethanol,diglycol,diethylenglykol,2-hydroxyethyl ether,bis 2-hydroxyethyl ether,ethanol, 2,2'-oxybis,2,2'-oxybisethanol,2-2-hydroxyethoxy ethanol,digol |
| InChI Key | MTHSVFCYNBDYFN-UHFFFAOYSA-N |
| Molecular Formula | C4H10O3 |
1,5-Pentanediol, 98%
CAS: 111-29-5 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00002978 InChI Key: ALQSHHUCVQOPAS-UHFFFAOYSA-N Synonym: 1,5-pentanediol,1,5-dihydroxypentane,pentylene glycol,pentamethylene glycol,1,5-pentylene glycol,1,5 pentanediol,1,5-pentamethylene glycol,alpha,omega-pentanediol,unii-07uxz0scst,1,5-pentandiol PubChem CID: 8105 IUPAC Name: pentane-1,5-diol SMILES: OCCCCCO
| PubChem CID | 8105 |
|---|---|
| CAS | 111-29-5 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00002978 |
| SMILES | OCCCCCO |
| Synonym | 1,5-pentanediol,1,5-dihydroxypentane,pentylene glycol,pentamethylene glycol,1,5-pentylene glycol,1,5 pentanediol,1,5-pentamethylene glycol,alpha,omega-pentanediol,unii-07uxz0scst,1,5-pentandiol |
| IUPAC Name | pentane-1,5-diol |
| InChI Key | ALQSHHUCVQOPAS-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
5-(Hydroxymethyl)furfural, 98%
CAS: 67-47-0 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 InChI Key: NOEGNKMFWQHSLB-UHFFFAOYSA-N Synonym: 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole PubChem CID: 237332 ChEBI: CHEBI:412516 IUPAC Name: 5-(hydroxymethyl)furan-2-carbaldehyde SMILES: C1=C(OC(=C1)C=O)CO
| PubChem CID | 237332 |
|---|---|
| CAS | 67-47-0 |
| Molecular Weight (g/mol) | 126.11 |
| ChEBI | CHEBI:412516 |
| SMILES | C1=C(OC(=C1)C=O)CO |
| Synonym | 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole |
| IUPAC Name | 5-(hydroxymethyl)furan-2-carbaldehyde |
| InChI Key | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
Diethyl malonate, 99+%
CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.17 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC
| PubChem CID | 7761 |
|---|---|
| CAS | 105-53-3 |
| Molecular Weight (g/mol) | 160.17 |
| SMILES | CCOC(=O)CC(=O)OCC |
| Synonym | diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van |
| IUPAC Name | diethyl propanedioate |
| InChI Key | IYXGSMUGOJNHAZ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O4 |
tert-Butyl acetoacetate, 97%
CAS: 1694-31-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 MDL Number: MFCD00008811 InChI Key: JKUYRAMKJLMYLO-UHFFFAOYSA-N Synonym: tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate PubChem CID: 15538 IUPAC Name: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C
| PubChem CID | 15538 |
|---|---|
| CAS | 1694-31-1 |
| Molecular Weight (g/mol) | 158.2 |
| MDL Number | MFCD00008811 |
| SMILES | CC(=O)CC(=O)OC(C)(C)C |
| Synonym | tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate |
| IUPAC Name | tert-butyl 3-oxobutanoate |
| InChI Key | JKUYRAMKJLMYLO-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
Thermo Scientific Chemicals Ergosterol, 98%
CAS: 57-87-4 Molecular Formula: C28H44O Molecular Weight (g/mol): 396.64 MDL Number: MFCD00003623 InChI Key: DNVPQKQSNYMLRS-APGDWVJJSA-N Synonym: ergosterol,provitamin d2,unii-z30ray509f,ergosterin,ergosta-5,7,22e-trien-3beta-ol,5,7,22-ergostatrien-3beta-ol,3beta-hydroxy-5,7,22-ergostatriene,22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol,22e-ergosta-5,7,22-trien-3beta-ol,ergosta-5,7,22-trien-3-ol, 3b,22e PubChem CID: 444679 ChEBI: CHEBI:16933 IUPAC Name: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
| PubChem CID | 444679 |
|---|---|
| CAS | 57-87-4 |
| Molecular Weight (g/mol) | 396.64 |
| ChEBI | CHEBI:16933 |
| MDL Number | MFCD00003623 |
| SMILES | CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C |
| Synonym | ergosterol,provitamin d2,unii-z30ray509f,ergosterin,ergosta-5,7,22e-trien-3beta-ol,5,7,22-ergostatrien-3beta-ol,3beta-hydroxy-5,7,22-ergostatriene,22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol,22e-ergosta-5,7,22-trien-3beta-ol,ergosta-5,7,22-trien-3-ol, 3b,22e |
| IUPAC Name | (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| InChI Key | DNVPQKQSNYMLRS-APGDWVJJSA-N |
| Molecular Formula | C28H44O |
5-Methylfurfural, 98+%
CAS: 620-02-0 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.11 MDL Number: MFCD00003232 InChI Key: OUDFNZMQXZILJD-UHFFFAOYSA-N Synonym: 5-methylfurfural,5-methyl-2-furaldehyde,5-methyl furfural,5-methyl-2-furfural,2-furancarboxaldehyde, 5-methyl,5-methylfuran-2-al,5-methyl-2-furancarboxaldehyde,5-methylfurfuraldehyde,2-furaldehyde, 5-methyl,2-formyl-5-methylfuran PubChem CID: 12097 ChEBI: CHEBI:2091 IUPAC Name: 5-methylfuran-2-carbaldehyde SMILES: CC1=CC=C(O1)C=O
| PubChem CID | 12097 |
|---|---|
| CAS | 620-02-0 |
| Molecular Weight (g/mol) | 110.11 |
| ChEBI | CHEBI:2091 |
| MDL Number | MFCD00003232 |
| SMILES | CC1=CC=C(O1)C=O |
| Synonym | 5-methylfurfural,5-methyl-2-furaldehyde,5-methyl furfural,5-methyl-2-furfural,2-furancarboxaldehyde, 5-methyl,5-methylfuran-2-al,5-methyl-2-furancarboxaldehyde,5-methylfurfuraldehyde,2-furaldehyde, 5-methyl,2-formyl-5-methylfuran |
| IUPAC Name | 5-methylfuran-2-carbaldehyde |
| InChI Key | OUDFNZMQXZILJD-UHFFFAOYSA-N |
| Molecular Formula | C6H6O2 |
Thermo Scientific Chemicals Glyoxal, pure, 40 wt.% solution in water
CAS: 107-22-2 | C2H2O2 | 58.04 g/mol
| Viscosity | 8 mPa.s (20°C) |
|---|---|
| Linear Formula | HCOCHO |
| Molecular Weight (g/mol) | 58.04 |
| ChEBI | CHEBI:34779 |
| InChI Key | LEQAOMBKQFMDFZ-UHFFFAOYSA-N |
| Density | 1.2650g/mL |
| PubChem CID | 7860 |
| Name Note | 40 wt.% Solution in Water |
| Percent Purity | 39 to 41% (Titrimetry other) |
| Fieser | 01,413 |
| Formula Weight | 58.04 |
| Melting Point | -14.0°C |
| Boiling Point | 104.0°C |
| Color | Colorless to Yellow |
| Physical Form | Liquid |
| Chemical Name or Material | Glyoxal |
| Grade | Pure |
| SMILES | C(=O)C=O |
| Merck Index | 15, 4544 |
| CAS | 7732-18-5 |
| Health Hazard 3 | GHS P Statement IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. Call a POISON CENTER or doctor/physician if you feel unwell. IF ON SKIN: Wash with plenty of soap and water. If skin irritatio |
| MDL Number | MFCD00006957 |
| Health Hazard 2 | GHS H Statement Suspected of causing genetic defects if inhaled. Harmful if inhaled. Causes serious eye irritation. Causes skin irritation. May cause an allergic skin reaction. May cause respiratory irritation. |
| Solubility Information | Solubility in water: miscible. |
| Flash Point | >104°C |
| Health Hazard 1 | GHS Signal Word: Warning |
| Synonym | glyoxal,ethanedial,oxalaldehyde,1,2-ethanedione,glyoxylaldehyde,biformal,biformyl,diformal,diformyl,aerotex glyoxal 40 |
| Recommended Storage | May darken during storage |
| IUPAC Name | oxaldehyde |
| Beilstein | 01, 759 |
| Molecular Formula | C2H2O2 |
| EINECS Number | 203-474-9 |
| Specific Gravity | 1.265 |
1,2-Pentanediol, 96%
CAS: 5343-92-0 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00010736 InChI Key: WCVRQHFDJLLWFE-UHFFFAOYNA-N Synonym: 1,2-pentanediol,1,2-dihydroxypentane,1,2-pentanediol, 2r,acmc-20mbh5,acmc-1axdb,3-01-00-02191 beilstein handbook reference,ksc271i3n,wcvrqhfdjllwfe-uhfffaoysa PubChem CID: 93000 IUPAC Name: pentane-1,2-diol SMILES: CCCC(O)CO
| PubChem CID | 93000 |
|---|---|
| CAS | 5343-92-0 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00010736 |
| SMILES | CCCC(O)CO |
| Synonym | 1,2-pentanediol,1,2-dihydroxypentane,1,2-pentanediol, 2r,acmc-20mbh5,acmc-1axdb,3-01-00-02191 beilstein handbook reference,ksc271i3n,wcvrqhfdjllwfe-uhfffaoysa |
| IUPAC Name | pentane-1,2-diol |
| InChI Key | WCVRQHFDJLLWFE-UHFFFAOYNA-N |
| Molecular Formula | C5H12O2 |