Organooxygen compounds
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1,3-Dichloroacetone, 96%
CAS: 534-07-6 Molecular Formula: C3H4Cl2O Molecular Weight (g/mol): 126.96 MDL Number: MFCD00000937 InChI Key: SUNMBRGCANLOEG-UHFFFAOYSA-N Synonym: 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone PubChem CID: 10793 IUPAC Name: 1,3-dichloropropan-2-one SMILES: ClCC(=O)CCl
| PubChem CID | 10793 |
|---|---|
| CAS | 534-07-6 |
| Molecular Weight (g/mol) | 126.96 |
| MDL Number | MFCD00000937 |
| SMILES | ClCC(=O)CCl |
| Synonym | 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone |
| IUPAC Name | 1,3-dichloropropan-2-one |
| InChI Key | SUNMBRGCANLOEG-UHFFFAOYSA-N |
| Molecular Formula | C3H4Cl2O |
4-Hexyloxybenzaldehyde, 99%, Thermo Scientific™
CAS: 5736-94-7 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.28 MDL Number: MFCD00016615 InChI Key: GWXUVWKBVROFDM-UHFFFAOYSA-N Synonym: 4-hexyloxy benzaldehyde,4-hexyloxybenzaldehyde,4-n-hexyloxybenzaldehyde,p-hexyloxybenzaldehyde,benzaldehyde, 4-hexyloxy,benzaldehyde, p-hexyloxy,p-hexyloxy benzaldehyde,p-hexoxybenzaldehyde,4-hexyloxbenzaldehyde,p-n-hexyloxybenzaldehyde PubChem CID: 79816 IUPAC Name: 4-hexoxybenzaldehyde SMILES: CCCCCCOC1=CC=C(C=C1)C=O
| PubChem CID | 79816 |
|---|---|
| CAS | 5736-94-7 |
| Molecular Weight (g/mol) | 206.28 |
| MDL Number | MFCD00016615 |
| SMILES | CCCCCCOC1=CC=C(C=C1)C=O |
| Synonym | 4-hexyloxy benzaldehyde,4-hexyloxybenzaldehyde,4-n-hexyloxybenzaldehyde,p-hexyloxybenzaldehyde,benzaldehyde, 4-hexyloxy,benzaldehyde, p-hexyloxy,p-hexyloxy benzaldehyde,p-hexoxybenzaldehyde,4-hexyloxbenzaldehyde,p-n-hexyloxybenzaldehyde |
| IUPAC Name | 4-hexoxybenzaldehyde |
| InChI Key | GWXUVWKBVROFDM-UHFFFAOYSA-N |
| Molecular Formula | C13H18O2 |
Glutaric dialdehyde, electron microscopy grade, 25% solution in water, purified
CAS: 111-30-8 | C5H8O2 | 100.12 g/mol
| Linear Formula | OHC(CH2)3CHO |
|---|---|
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:64276 |
| InChI Key | SXRSQZLOMIGNAQ-UHFFFAOYSA-N |
| Density | 1.0600g/mL |
| PubChem CID | 3485 |
| Name Note | Purified |
| Percent Purity | 25 to 27 wt% |
| Fieser | 01,411 |
| pH | 3.1 to 4.5 (25°C) |
| Formula Weight | 100.12 |
| Melting Point | -5.0°C |
| Boiling Point | 101°C |
| Physical Form | Solution |
| Chemical Name or Material | Glutaric dialdehyde, electron microscopy grade |
| Grade | E.M. |
| SMILES | O=CCCCC=O |
| Merck Index | 15, 4508 |
| CAS | 7732-18-5 |
| Health Hazard 3 | GHS P Statement IF SWALLOWED: rinse mouth. Do NOT induce vomiting. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,if present and easy to do. Continue rinsing. Immediately call a POISON CENTER |
| MDL Number | MFCD00007025 |
| Health Hazard 2 | GHS H Statement May cause an allergic skin reaction. May cause allergy or asthma symptoms or breathing difficulties if inhaled. Causes severe skin burns and eye damage. Harmful if swallowed. Harmful if inhaled. Very t |
| Solubility Information | Solubility in water: soluble |
| Packaging | Glass bottle |
| Health Hazard 1 | GHS Signal Word: Danger |
| Refractive Index | 1.373 |
| Synonym | glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde |
| IUPAC Name | pentanedial |
| Beilstein | 01, 776 |
| Molecular Formula | C5H8O2 |
| EINECS Number | 203-856-5 |
| Specific Gravity | 1.06 |
3-Methoxypropylamine, 99+%, Thermo Scientific Chemicals
CAS: 5332-73-0 Molecular Formula: C4H11NO Molecular Weight (g/mol): 89.14 MDL Number: MFCD00014831 InChI Key: FAXDZWQIWUSWJH-UHFFFAOYSA-N Synonym: 3-methoxypropylamine,1-propanamine, 3-methoxy,1-amino-3-methoxypropane,3-aminopropyl methyl ether,3-methyoxypropylamine,3-methoxy-n-propylamine,3-methoxy-1-propanamine,propylamine, 3-methoxy,3-mpa,propanolamine methyl ether PubChem CID: 1672 IUPAC Name: 3-methoxypropan-1-amine SMILES: COCCCN
| PubChem CID | 1672 |
|---|---|
| CAS | 5332-73-0 |
| Molecular Weight (g/mol) | 89.14 |
| MDL Number | MFCD00014831 |
| SMILES | COCCCN |
| Synonym | 3-methoxypropylamine,1-propanamine, 3-methoxy,1-amino-3-methoxypropane,3-aminopropyl methyl ether,3-methyoxypropylamine,3-methoxy-n-propylamine,3-methoxy-1-propanamine,propylamine, 3-methoxy,3-mpa,propanolamine methyl ether |
| IUPAC Name | 3-methoxypropan-1-amine |
| InChI Key | FAXDZWQIWUSWJH-UHFFFAOYSA-N |
| Molecular Formula | C4H11NO |
Thermo Scientific Chemicals 2-Deoxy-D-ribose, 99%
CAS: 533-67-5 Molecular Formula: C5H10O4 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00135904 InChI Key: PDWIQYODPROSQH-GLULIZFNNA-N Synonym: 2-deoxy-d-ribose,thyminose,3s,4r-3,4,5-trihydroxypentanal,deoxyribose,2-deoxy-d-erythro-pentose,2-deoxyribose,d-drib,2-deoxy-d-arabinose,unii-lsw4h01241,2-deoxy-d-erythropentose PubChem CID: 5460005 ChEBI: CHEBI:28816 IUPAC Name: (3S,4R)-3,4,5-trihydroxypentanal SMILES: OC[C@H]1OC(O)C[C@@H]1O
| PubChem CID | 5460005 |
|---|---|
| CAS | 533-67-5 |
| Molecular Weight (g/mol) | 134.13 |
| ChEBI | CHEBI:28816 |
| MDL Number | MFCD00135904 |
| SMILES | OC[C@H]1OC(O)C[C@@H]1O |
| Synonym | 2-deoxy-d-ribose,thyminose,3s,4r-3,4,5-trihydroxypentanal,deoxyribose,2-deoxy-d-erythro-pentose,2-deoxyribose,d-drib,2-deoxy-d-arabinose,unii-lsw4h01241,2-deoxy-d-erythropentose |
| IUPAC Name | (3S,4R)-3,4,5-trihydroxypentanal |
| InChI Key | PDWIQYODPROSQH-GLULIZFNNA-N |
| Molecular Formula | C5H10O4 |
2-Methyl-1-propanol, 99+%, Extra Pure
CAS: 78-83-1 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.12 MDL Number: MFCD00004740 InChI Key: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N Synonym: 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol PubChem CID: 6560 ChEBI: CHEBI:46645 IUPAC Name: 2-methylpropan-1-ol SMILES: CC(C)CO
| PubChem CID | 6560 |
|---|---|
| CAS | 78-83-1 |
| Molecular Weight (g/mol) | 74.12 |
| ChEBI | CHEBI:46645 |
| MDL Number | MFCD00004740 |
| SMILES | CC(C)CO |
| Synonym | 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol |
| IUPAC Name | 2-methylpropan-1-ol |
| InChI Key | ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
| Molecular Formula | C4H10O |
1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanol, 98%
CAS: 1515-14-6 Molecular Formula: C4H4F6O Molecular Weight (g/mol): 182.07 MDL Number: MFCD00039259 InChI Key: FQDXJYBXPOMIBX-UHFFFAOYSA-N Synonym: hexafluoro-2-methylisopropanol,1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol,2-propanol, 1,1,1,3,3,3-hexafluoro-2-methyl,hexafluoro-tert-butanol,cf3 2mecoh,1,1,1,3,3,3-hexafluoro-2-methylisopropanol,methylbistrifluoromethylmethanol,cf3 2c oh ch3,fqdxjybxpomibx-uhfffaoysa,hexafluoro-3-methylisopropanol PubChem CID: 73936 IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol SMILES: CC(O)(C(F)(F)F)C(F)(F)F
| PubChem CID | 73936 |
|---|---|
| CAS | 1515-14-6 |
| Molecular Weight (g/mol) | 182.07 |
| MDL Number | MFCD00039259 |
| SMILES | CC(O)(C(F)(F)F)C(F)(F)F |
| Synonym | hexafluoro-2-methylisopropanol,1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol,2-propanol, 1,1,1,3,3,3-hexafluoro-2-methyl,hexafluoro-tert-butanol,cf3 2mecoh,1,1,1,3,3,3-hexafluoro-2-methylisopropanol,methylbistrifluoromethylmethanol,cf3 2c oh ch3,fqdxjybxpomibx-uhfffaoysa,hexafluoro-3-methylisopropanol |
| IUPAC Name | 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol |
| InChI Key | FQDXJYBXPOMIBX-UHFFFAOYSA-N |
| Molecular Formula | C4H4F6O |
Oleyl alcohol, tech. 80-85%, Thermo Scientific Chemicals
CAS: 143-28-2 Molecular Formula: C18H36O Molecular Weight (g/mol): 268.49 MDL Number: MFCD00002993 InChI Key: ALSTYHKOOCGGFT-KTKRTIGZSA-N Synonym: oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol PubChem CID: 5284499 ChEBI: CHEBI:73504 IUPAC Name: (9Z)-octadec-9-en-1-ol SMILES: CCCCCCCC\C=C/CCCCCCCCO
| PubChem CID | 5284499 |
|---|---|
| CAS | 143-28-2 |
| Molecular Weight (g/mol) | 268.49 |
| ChEBI | CHEBI:73504 |
| MDL Number | MFCD00002993 |
| SMILES | CCCCCCCC\C=C/CCCCCCCCO |
| Synonym | oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol |
| IUPAC Name | (9Z)-octadec-9-en-1-ol |
| InChI Key | ALSTYHKOOCGGFT-KTKRTIGZSA-N |
| Molecular Formula | C18H36O |
Acetophenone, 98%, pure
CAS: 98-86-2 MDL Number: MFCD00008724 InChI Key: KWOLFJPFCHCOCG-UHFFFAOYSA-N Synonym: acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol PubChem CID: 7410 ChEBI: CHEBI:27632 IUPAC Name: 1-phenylethanone SMILES: CC(=O)C1=CC=CC=C1
| PubChem CID | 7410 |
|---|---|
| CAS | 98-86-2 |
| ChEBI | CHEBI:27632 |
| MDL Number | MFCD00008724 |
| SMILES | CC(=O)C1=CC=CC=C1 |
| Synonym | acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol |
| IUPAC Name | 1-phenylethanone |
| InChI Key | KWOLFJPFCHCOCG-UHFFFAOYSA-N |
2-Methyl-1-propanol, 99+%, Extra Dry, AcroSeal™
CAS: 78-83-1 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.12 MDL Number: MFCD00004740 InChI Key: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N Synonym: 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol PubChem CID: 6560 ChEBI: CHEBI:46645 IUPAC Name: 2-methylpropan-1-ol SMILES: CC(C)CO
| PubChem CID | 6560 |
|---|---|
| CAS | 78-83-1 |
| Molecular Weight (g/mol) | 74.12 |
| ChEBI | CHEBI:46645 |
| MDL Number | MFCD00004740 |
| SMILES | CC(C)CO |
| Synonym | 2-methyl-1-propanol,isobutanol,isobutyl alcohol,1-propanol, 2-methyl,1-hydroxymethylpropane,isopropylcarbinol,iso-butyl alcohol,2-methylpropyl alcohol,isobutylalkohol,i-butyl alcohol |
| IUPAC Name | 2-methylpropan-1-ol |
| InChI Key | ZXEKIIBDNHEJCQ-UHFFFAOYSA-N |
| Molecular Formula | C4H10O |
Dodecanal, 95%, stab.
CAS: 112-54-9 Molecular Formula: C12H24O Molecular Weight (g/mol): 184.32 MDL Number: MFCD00007017 InChI Key: HFJRKMMYBMWEAD-UHFFFAOYSA-N Synonym: lauraldehyde,dodecyl aldehyde,lauric aldehyde,lauryl aldehyde,n-dodecanal,dodecanaldehyde,1-dodecanal,n-dodecyl aldehyde,n-lauraldehyde,n-dodecylic aldehyde PubChem CID: 8194 ChEBI: CHEBI:27836 IUPAC Name: dodecanal SMILES: CCCCCCCCCCCC=O
| PubChem CID | 8194 |
|---|---|
| CAS | 112-54-9 |
| Molecular Weight (g/mol) | 184.32 |
| ChEBI | CHEBI:27836 |
| MDL Number | MFCD00007017 |
| SMILES | CCCCCCCCCCCC=O |
| Synonym | lauraldehyde,dodecyl aldehyde,lauric aldehyde,lauryl aldehyde,n-dodecanal,dodecanaldehyde,1-dodecanal,n-dodecyl aldehyde,n-lauraldehyde,n-dodecylic aldehyde |
| IUPAC Name | dodecanal |
| InChI Key | HFJRKMMYBMWEAD-UHFFFAOYSA-N |
| Molecular Formula | C12H24O |
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 |
2-Ketoglutaric acid, 98%
CAS: 328-50-7 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.098 MDL Number: MFCD00004165 InChI Key: KPGXRSRHYNQIFN-UHFFFAOYSA-N Synonym: 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid PubChem CID: 51 ChEBI: CHEBI:30915 IUPAC Name: 2-oxopentanedioic acid SMILES: C(CC(=O)O)C(=O)C(=O)O
| PubChem CID | 51 |
|---|---|
| CAS | 328-50-7 |
| Molecular Weight (g/mol) | 146.098 |
| ChEBI | CHEBI:30915 |
| MDL Number | MFCD00004165 |
| SMILES | C(CC(=O)O)C(=O)C(=O)O |
| Synonym | 2-ketoglutaric acid,alpha-ketoglutaric acid,2-oxoglutaric acid,2-oxoglutarate,oxoglutaric acid,alpha-ketoglutarate,2-ketoglutarate,alphaketoglutaric acid,alpha-oxoglutaric acid,2-oxo-1,5-pentanedioic acid |
| IUPAC Name | 2-oxopentanedioic acid |
| InChI Key | KPGXRSRHYNQIFN-UHFFFAOYSA-N |
| Molecular Formula | C5H6O5 |
Chlorogenic acid
CAS: 327-97-9 Molecular Formula: C16H18O9 Molecular Weight (g/mol): 354.31 MDL Number: MFCD00003862 InChI Key: CWVRJTMFETXNAD-JUHZACGLSA-N Synonym: chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri PubChem CID: 1794427 ChEBI: CHEBI:16112 IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O
| PubChem CID | 1794427 |
|---|---|
| CAS | 327-97-9 |
| Molecular Weight (g/mol) | 354.31 |
| ChEBI | CHEBI:16112 |
| MDL Number | MFCD00003862 |
| SMILES | O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O |
| Synonym | chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri |
| IUPAC Name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| InChI Key | CWVRJTMFETXNAD-JUHZACGLSA-N |
| Molecular Formula | C16H18O9 |
Propionaldehyde, 99+%, AcroSeal™
CAS: 123-38-6 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00007020 InChI Key: NBBJYMSMWIIQGU-UHFFFAOYSA-N Synonym: propionaldehyde,propanaldehyde,propaldehyde,propional,propionic aldehyde,n-propanal,methylacetaldehyde,propylaldehyde,propylic aldehyde,aldehyde propionique PubChem CID: 527 ChEBI: CHEBI:17153 IUPAC Name: propanal SMILES: CCC=O
| PubChem CID | 527 |
|---|---|
| CAS | 123-38-6 |
| Molecular Weight (g/mol) | 58.08 |
| ChEBI | CHEBI:17153 |
| MDL Number | MFCD00007020 |
| SMILES | CCC=O |
| Synonym | propionaldehyde,propanaldehyde,propaldehyde,propional,propionic aldehyde,n-propanal,methylacetaldehyde,propylaldehyde,propylic aldehyde,aldehyde propionique |
| IUPAC Name | propanal |
| InChI Key | NBBJYMSMWIIQGU-UHFFFAOYSA-N |
| Molecular Formula | C3H6O |