Organooxygen compounds
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Trimethyl orthoformate, 99%
CAS: 149-73-5 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.12 MDL Number: MFCD00008483 InChI Key: PYOKUURKVVELLB-UHFFFAOYSA-N Synonym: trimethyl orthoformate,methyl orthoformate,methane, trimethoxy,orthoformic acid, trimethyl ester,orthoformic acid methyl ester,orthomravencan methylnaty,methoxymethylal,methylester kyseliny orthomravenci,unii-xam28819yj,orthoformic acid trimethyl ester PubChem CID: 9005 IUPAC Name: trimethoxymethane SMILES: COC(OC)OC
| PubChem CID | 9005 |
|---|---|
| CAS | 149-73-5 |
| Molecular Weight (g/mol) | 106.12 |
| MDL Number | MFCD00008483 |
| SMILES | COC(OC)OC |
| Synonym | trimethyl orthoformate,methyl orthoformate,methane, trimethoxy,orthoformic acid, trimethyl ester,orthoformic acid methyl ester,orthomravencan methylnaty,methoxymethylal,methylester kyseliny orthomravenci,unii-xam28819yj,orthoformic acid trimethyl ester |
| IUPAC Name | trimethoxymethane |
| InChI Key | PYOKUURKVVELLB-UHFFFAOYSA-N |
| Molecular Formula | C4H10O3 |
2,2-Dimethyl-1,3-propanediol, 99%
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 |
4-Pyridinecarboxaldehyde 96.0+%, TCI America™
CAS: 872-85-5 Molecular Formula: C6H5NO Molecular Weight (g/mol): 107.112 MDL Number: MFCD00006425 InChI Key: BGUWFUQJCDRPTL-UHFFFAOYSA-N Synonym: 4-pyridinecarboxaldehyde,isonicotinaldehyde,4-formylpyridine,isonicotinic aldehyde,p-pyridinealdehyde,pyridine-4-carboxaldehyde,4-pyridinealdehyde,4-pyridylaldehyde,4-pyridinecarbaldehyde,pyridine-4-aldehyde PubChem CID: 13389 IUPAC Name: pyridine-4-carbaldehyde SMILES: C1=CN=CC=C1C=O
| PubChem CID | 13389 |
|---|---|
| CAS | 872-85-5 |
| Molecular Weight (g/mol) | 107.112 |
| MDL Number | MFCD00006425 |
| SMILES | C1=CN=CC=C1C=O |
| Synonym | 4-pyridinecarboxaldehyde,isonicotinaldehyde,4-formylpyridine,isonicotinic aldehyde,p-pyridinealdehyde,pyridine-4-carboxaldehyde,4-pyridinealdehyde,4-pyridylaldehyde,4-pyridinecarbaldehyde,pyridine-4-aldehyde |
| IUPAC Name | pyridine-4-carbaldehyde |
| InChI Key | BGUWFUQJCDRPTL-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO |
Pyridine-2-carboxaldehyde, 99%
CAS: 1121-60-4 Molecular Formula: C6H5NO Molecular Weight (g/mol): 107.112 MDL Number: MFCD00006290 InChI Key: CSDSSGBPEUDDEE-UHFFFAOYSA-N Synonym: 2-pyridinecarboxaldehyde,picolinaldehyde,pyridine-2-carboxaldehyde,2-formylpyridine,pyridine-2-aldehyde,picolinal,2-picolinaldehyde,2-pyridaldehyde,picolinic aldehyde,2-pyridylaldehyde PubChem CID: 14273 ChEBI: CHEBI:73012 IUPAC Name: pyridine-2-carbaldehyde SMILES: C1=CC=NC(=C1)C=O
| PubChem CID | 14273 |
|---|---|
| CAS | 1121-60-4 |
| Molecular Weight (g/mol) | 107.112 |
| ChEBI | CHEBI:73012 |
| MDL Number | MFCD00006290 |
| SMILES | C1=CC=NC(=C1)C=O |
| Synonym | 2-pyridinecarboxaldehyde,picolinaldehyde,pyridine-2-carboxaldehyde,2-formylpyridine,pyridine-2-aldehyde,picolinal,2-picolinaldehyde,2-pyridaldehyde,picolinic aldehyde,2-pyridylaldehyde |
| IUPAC Name | pyridine-2-carbaldehyde |
| InChI Key | CSDSSGBPEUDDEE-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO |
Dimethoxymethane, 99.5+%
CAS: 109-87-5 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.09 MDL Number: MFCD00008495 InChI Key: NKDDWNXOKDWJAK-UHFFFAOYSA-N Synonym: methylal,formal,methane, dimethoxy,formaldehyde dimethyl acetal,dimethyl formal,anesthenyl,2,4-dioxapentane,bis methoxy methane,methylene dimethyl ether,methoxymethyl methyl ether PubChem CID: 8020 ChEBI: CHEBI:48341 IUPAC Name: dimethoxymethane SMILES: COCOC
| PubChem CID | 8020 |
|---|---|
| CAS | 109-87-5 |
| Molecular Weight (g/mol) | 76.09 |
| ChEBI | CHEBI:48341 |
| MDL Number | MFCD00008495 |
| SMILES | COCOC |
| Synonym | methylal,formal,methane, dimethoxy,formaldehyde dimethyl acetal,dimethyl formal,anesthenyl,2,4-dioxapentane,bis methoxy methane,methylene dimethyl ether,methoxymethyl methyl ether |
| IUPAC Name | dimethoxymethane |
| InChI Key | NKDDWNXOKDWJAK-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
[Bis(2-methoxyethyl)amino]sulfur trifluoride, 2.7M (50 wt.%) solution in toluene
CAS: 202289-38-1 | C6H14F3NO2S | 221.24 g/mol
| Linear Formula | (CH3OCHCH2)2NSF3 |
|---|---|
| Molecular Weight (g/mol) | 221.24 |
| Color | Orange-Yellow |
| Physical Form | Liquid |
| CAS Min % | 49.0 |
| Chemical Name or Material | [Bis(2-methoxyethyl)amino]sulfur trifluoride |
| SMILES | COCCN(CCOC)S(F)(F)F |
| Merck Index | 15,2899 |
| InChI Key | APOYTRAZFJURPB-UHFFFAOYSA-N |
| Density | 1.2000g/mL |
| PubChem CID | 2734690 |
| Percent Purity | ≥95% (NMR, neat substance) |
| CAS | 108-88-3 |
| Health Hazard 3 | GHS P Statement IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. IF SWALLOWED: rinse mouth. Do NOT induce vomiting. Wear eye protection/face protection. 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 or doctor/physician. Use personal protective equipment as required. Avoid breathing dust/fume/gas/mist/vapors/spray. Do not breathe dust/fume/gas/mist/vapors/spray. IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician. Do NOT induce vomiting. Store in a dry place. Store in a closed container. IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing. Keep away from heat/sparks/open flames/hot surfaces. - No smoking. Ground/Bond container and receiving equipment. |
| Health Hazard 2 | GHS H Statement Toxic if swallowed. May be fatal if swallowed and enters airways. Causes severe skin burns and eye damage. May cause drowsiness or dizziness. May cause damage to organs through prolonged or repeated exposure. Suspected of damaging the unborn child. Highly flammable liquid and vapor. Reacts violently with water. |
| Packaging | Plastic bottle |
| Flash Point | 4°C |
| Health Hazard 1 | GHS Signal Word: Danger |
| Synonym | bis 2-methoxyethyl aminosulfur trifluoride,deoxo-fluor,2-methoxy-n-2-methoxyethyl-n-trifluorothio-ethanamine,deoxo-fluor r,bis 2-methoxyethyl aminosulphurtrifluoride,bast,bis 2-methoxyethyl amino sulfur trifluoride,bis 2-methoxyethyl aminosulphur trifluoride |
| IUPAC Name | 2-methoxy-N-(2-methoxyethyl)-N-(trifluoro-$l^{4}-sulfanyl)ethanamine |
| Molecular Formula | C6H14F3NO2S |
| Formula Weight | 221.24 |
| Specific Gravity | 1.2 |
| CAS Max % | 51.0 |
(+/-)-2-Methyl-2,4-pentanediol, 98%
CAS: 107-41-5 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00004547 InChI Key: SVTBMSDMJJWYQN-UHFFFAOYSA-N Synonym: hexylene glycol,2-methyl-2,4-pentanediol,pinakon,2,4-dihydroxy-2-methylpentane,2,4-pentanediol, 2-methyl,diolane,isol,4-methyl-2,4-pentanediol,1,1,3-trimethyltrimethylenediol,2-methyl pentane-2,4-diol PubChem CID: 7870 ChEBI: CHEBI:62995 IUPAC Name: 2-methylpentane-2,4-diol SMILES: CC(CC(C)(C)O)O
| PubChem CID | 7870 |
|---|---|
| CAS | 107-41-5 |
| Molecular Weight (g/mol) | 118.176 |
| ChEBI | CHEBI:62995 |
| MDL Number | MFCD00004547 |
| SMILES | CC(CC(C)(C)O)O |
| Synonym | hexylene glycol,2-methyl-2,4-pentanediol,pinakon,2,4-dihydroxy-2-methylpentane,2,4-pentanediol, 2-methyl,diolane,isol,4-methyl-2,4-pentanediol,1,1,3-trimethyltrimethylenediol,2-methyl pentane-2,4-diol |
| IUPAC Name | 2-methylpentane-2,4-diol |
| InChI Key | SVTBMSDMJJWYQN-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
D-(-)-Isoascorbic acid, 98%
CAS: 89-65-6 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 MDL Number: MFCD00005378 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N Synonym: erythorbic acid,isoascorbic acid,d-araboascorbic acid,d-isoascorbic acid,araboascorbic acid,d-erythorbic acid,isovitamin c,neo-cebicure,saccharosonic acid,mercate 5 PubChem CID: 54675810 ChEBI: CHEBI:51438 IUPAC Name: (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
| PubChem CID | 54675810 |
|---|---|
| CAS | 89-65-6 |
| Molecular Weight (g/mol) | 198.11 |
| ChEBI | CHEBI:51438 |
| MDL Number | MFCD00005378 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| Synonym | erythorbic acid,isoascorbic acid,d-araboascorbic acid,d-isoascorbic acid,araboascorbic acid,d-erythorbic acid,isovitamin c,neo-cebicure,saccharosonic acid,mercate 5 |
| IUPAC Name | (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
1-Hydroxycyclohexyl Phenyl Ketone 98.0+%, TCI America™
CAS: 947-19-3 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00059561 InChI Key: QNODIIQQMGDSEF-UHFFFAOYSA-N Synonym: 1-hydroxycyclohexyl phenyl ketone,1-hydroxycyclohexyl phenyl methanone,1-benzoylcyclohexanol,hydroxycyclohexyl phenyl ketone,1-benzoylcyclohexan-1-ol,irgacure 184,methanone, 1-hydroxycyclohexyl phenyl,unii-e7jvn2243x,1-hydroxycyclohexyl-phenylmethanone,1-cyclohexylhydroxyphenylketone PubChem CID: 70355 IUPAC Name: (1-hydroxycyclohexyl)-phenylmethanone SMILES: C1CCC(CC1)(C(=O)C2=CC=CC=C2)O
| PubChem CID | 70355 |
|---|---|
| CAS | 947-19-3 |
| Molecular Weight (g/mol) | 204.269 |
| MDL Number | MFCD00059561 |
| SMILES | C1CCC(CC1)(C(=O)C2=CC=CC=C2)O |
| Synonym | 1-hydroxycyclohexyl phenyl ketone,1-hydroxycyclohexyl phenyl methanone,1-benzoylcyclohexanol,hydroxycyclohexyl phenyl ketone,1-benzoylcyclohexan-1-ol,irgacure 184,methanone, 1-hydroxycyclohexyl phenyl,unii-e7jvn2243x,1-hydroxycyclohexyl-phenylmethanone,1-cyclohexylhydroxyphenylketone |
| IUPAC Name | (1-hydroxycyclohexyl)-phenylmethanone |
| InChI Key | QNODIIQQMGDSEF-UHFFFAOYSA-N |
| Molecular Formula | C13H16O2 |
3-Phenyl-1-propanol, 99%
CAS: 122-97-4 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002950 InChI Key: VAJVDSVGBWFCLW-UHFFFAOYSA-N Synonym: 3-phenyl-1-propanol,benzenepropanol,hydrocinnamyl alcohol,3-phenylpropyl alcohol,3-phenylpropanol,3-benzenepropanol,phenylpropyl alcohol,hydrocinnamic alcohol,3-phenyl-n-propanol,3-hydroxypropyl benzene PubChem CID: 31234 IUPAC Name: 3-phenylpropan-1-ol SMILES: C1=CC=C(C=C1)CCCO
| PubChem CID | 31234 |
|---|---|
| CAS | 122-97-4 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00002950 |
| SMILES | C1=CC=C(C=C1)CCCO |
| Synonym | 3-phenyl-1-propanol,benzenepropanol,hydrocinnamyl alcohol,3-phenylpropyl alcohol,3-phenylpropanol,3-benzenepropanol,phenylpropyl alcohol,hydrocinnamic alcohol,3-phenyl-n-propanol,3-hydroxypropyl benzene |
| IUPAC Name | 3-phenylpropan-1-ol |
| InChI Key | VAJVDSVGBWFCLW-UHFFFAOYSA-N |
| Molecular Formula | C9H12O |
2-Naphthaldehyde, 98%
CAS: 66-99-9 Molecular Formula: C11H8O Molecular Weight (g/mol): 156.18 MDL Number: MFCD00004094 InChI Key: PJKVFARRVXDXAD-UHFFFAOYSA-N Synonym: 2-naphthaldehyde,2-naphthalenecarboxaldehyde,2-formylnaphthalene,beta-naphthaldehyde,beta-formylnaphthalene,beta-naphthylaldehyde,beta-naphthylcarboxaldehyde,.beta.-naphthaldehyde,.beta.-naphthylaldehyde,.beta.-formylnaphthalene PubChem CID: 6201 ChEBI: CHEBI:52368 IUPAC Name: naphthalene-2-carbaldehyde SMILES: C1=CC=C2C=C(C=CC2=C1)C=O
| PubChem CID | 6201 |
|---|---|
| CAS | 66-99-9 |
| Molecular Weight (g/mol) | 156.18 |
| ChEBI | CHEBI:52368 |
| MDL Number | MFCD00004094 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)C=O |
| Synonym | 2-naphthaldehyde,2-naphthalenecarboxaldehyde,2-formylnaphthalene,beta-naphthaldehyde,beta-formylnaphthalene,beta-naphthylaldehyde,beta-naphthylcarboxaldehyde,.beta.-naphthaldehyde,.beta.-naphthylaldehyde,.beta.-formylnaphthalene |
| IUPAC Name | naphthalene-2-carbaldehyde |
| InChI Key | PJKVFARRVXDXAD-UHFFFAOYSA-N |
| Molecular Formula | C11H8O |
3-Hydroxyazetidine, 95%, Thermo Scientific Chemicals
CAS: 45347-82-8 Molecular Formula: C3H7NO Molecular Weight (g/mol): 73.10 MDL Number: MFCD03695446 InChI Key: GMWFCJXSQQHBPI-UHFFFAOYSA-N IUPAC Name: azetidin-3-ol SMILES: OC1CNC1
| CAS | 45347-82-8 |
|---|---|
| Molecular Weight (g/mol) | 73.10 |
| MDL Number | MFCD03695446 |
| SMILES | OC1CNC1 |
| IUPAC Name | azetidin-3-ol |
| InChI Key | GMWFCJXSQQHBPI-UHFFFAOYSA-N |
| Molecular Formula | C3H7NO |
4'-tert-Butylacetophenone, 98%, Thermo Scientific Chemicals
CAS: 943-27-1 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.26 MDL Number: MFCD00017256 InChI Key: UYFJYGWNYQCHOB-UHFFFAOYSA-N Synonym: 4'-tert-butylacetophenone,1-4-tert-butylphenyl ethanone,4-tert-butylacetophenone,1-4-tert-butyl phenyl ethanone,p-tert-butylacetophenone,ethanone, 1-4-1,1-dimethylethyl phenyl,acetophenone, 4'-tert-butyl,1-4-tert-butyl phenyl ethan-1-one,p-t-butylacetophenone,1-4-tert-butyl-phenyl-ethanone PubChem CID: 13669 IUPAC Name: 1-(4-tert-butylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C(C)(C)C
| PubChem CID | 13669 |
|---|---|
| CAS | 943-27-1 |
| Molecular Weight (g/mol) | 176.26 |
| MDL Number | MFCD00017256 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(C)(C)C |
| Synonym | 4'-tert-butylacetophenone,1-4-tert-butylphenyl ethanone,4-tert-butylacetophenone,1-4-tert-butyl phenyl ethanone,p-tert-butylacetophenone,ethanone, 1-4-1,1-dimethylethyl phenyl,acetophenone, 4'-tert-butyl,1-4-tert-butyl phenyl ethan-1-one,p-t-butylacetophenone,1-4-tert-butyl-phenyl-ethanone |
| IUPAC Name | 1-(4-tert-butylphenyl)ethanone |
| InChI Key | UYFJYGWNYQCHOB-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
4'-Methoxyacetophenone, 99%
CAS: 100-06-1 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008745 InChI Key: NTPLXRHDUXRPNE-UHFFFAOYSA-N Synonym: 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl PubChem CID: 7476 ChEBI: CHEBI:86567 IUPAC Name: 1-(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(C)=O
| PubChem CID | 7476 |
|---|---|
| CAS | 100-06-1 |
| Molecular Weight (g/mol) | 150.18 |
| ChEBI | CHEBI:86567 |
| MDL Number | MFCD00008745 |
| SMILES | COC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-methoxyacetophenone,4-acetylanisole,4-methoxyacetophenone,1-4-methoxyphenyl ethanone,p-methoxyacetophenone,acetanisole,novatone,linarodin,vananote,ethanone, 1-4-methoxyphenyl |
| IUPAC Name | 1-(4-methoxyphenyl)ethanone |
| InChI Key | NTPLXRHDUXRPNE-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
Hexanophenone, 98%
CAS: 942-92-7 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.26 MDL Number: MFCD00009512 InChI Key: MAHPVQDVMLWUAG-UHFFFAOYSA-N Synonym: hexanophenone,caprophenone,1-hexanone, 1-phenyl,1-phenyl-1-hexanone,n-hexanophenone,amyl phenyl ketone,hexaphenone,pentyl phenyl ketone,4-ethylbutyrophenone,n-amylphenyl ketone PubChem CID: 70337 IUPAC Name: 1-phenylhexan-1-one SMILES: CCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 70337 |
|---|---|
| CAS | 942-92-7 |
| Molecular Weight (g/mol) | 176.26 |
| MDL Number | MFCD00009512 |
| SMILES | CCCCCC(=O)C1=CC=CC=C1 |
| Synonym | hexanophenone,caprophenone,1-hexanone, 1-phenyl,1-phenyl-1-hexanone,n-hexanophenone,amyl phenyl ketone,hexaphenone,pentyl phenyl ketone,4-ethylbutyrophenone,n-amylphenyl ketone |
| IUPAC Name | 1-phenylhexan-1-one |
| InChI Key | MAHPVQDVMLWUAG-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |