Organooxygen compounds
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2,6-Dimethyl-5-heptenal, stabilized, Thermo Scientific Chemicals
CAS: 106-72-9 Molecular Formula: C9H16O Molecular Weight (g/mol): 140.226 MDL Number: MFCD00006981 InChI Key: YGFGZTXGYTUXBA-UHFFFAOYSA-N Synonym: 2,6-dimethyl-5-heptenal,melonal,5-heptenal, 2,6-dimethyl,bergamal,2,6-dimethyl-5-hepten-1-al,2,6-dimethyl-5-heptanal,2,6-dimethylhept-5-en-1-al,fema no. 2389,2,6-dimethyl-2-hepten-7-al,2,6-dimethyl-5-heptenal natural PubChem CID: 61016 IUPAC Name: 2,6-dimethylhept-5-enal SMILES: CC(CCC=C(C)C)C=O
| PubChem CID | 61016 |
|---|---|
| CAS | 106-72-9 |
| Molecular Weight (g/mol) | 140.226 |
| MDL Number | MFCD00006981 |
| SMILES | CC(CCC=C(C)C)C=O |
| Synonym | 2,6-dimethyl-5-heptenal,melonal,5-heptenal, 2,6-dimethyl,bergamal,2,6-dimethyl-5-hepten-1-al,2,6-dimethyl-5-heptanal,2,6-dimethylhept-5-en-1-al,fema no. 2389,2,6-dimethyl-2-hepten-7-al,2,6-dimethyl-5-heptenal natural |
| IUPAC Name | 2,6-dimethylhept-5-enal |
| InChI Key | YGFGZTXGYTUXBA-UHFFFAOYSA-N |
| Molecular Formula | C9H16O |
4-Ethylmorpholine, 98%
CAS: 100-74-3 Molecular Formula: C6H13NO MDL Number: MFCD00006177 InChI Key: HVCNXQOWACZAFN-UHFFFAOYSA-N PubChem CID: 7525 IUPAC Name: 4-ethylmorpholine SMILES: CCN1CCOCC1
| PubChem CID | 7525 |
|---|---|
| CAS | 100-74-3 |
| MDL Number | MFCD00006177 |
| SMILES | CCN1CCOCC1 |
| IUPAC Name | 4-ethylmorpholine |
| InChI Key | HVCNXQOWACZAFN-UHFFFAOYSA-N |
| Molecular Formula | C6H13NO |
Acetone cyanohydrin, 99%, stabilized
CAS: 75-86-5 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.11 InChI Key: MWFMGBPGAXYFAR-UHFFFAOYSA-N Synonym: acetone cyanohydrin,acetone cyanhydrin,2-methyllactonitrile,2-hydroxyisobutyronitrile,alpha-hydroxyisobutyronitrile,acetoncyanhydrin,2-cyano-2-propanol,acetoncianidrina,acetonkyanhydrin,acetoncianhidrinei PubChem CID: 6406 ChEBI: CHEBI:15348 IUPAC Name: 2-hydroxy-2-methylpropanenitrile SMILES: CC(C)(C#N)O
| PubChem CID | 6406 |
|---|---|
| CAS | 75-86-5 |
| Molecular Weight (g/mol) | 85.11 |
| ChEBI | CHEBI:15348 |
| SMILES | CC(C)(C#N)O |
| Synonym | acetone cyanohydrin,acetone cyanhydrin,2-methyllactonitrile,2-hydroxyisobutyronitrile,alpha-hydroxyisobutyronitrile,acetoncyanhydrin,2-cyano-2-propanol,acetoncianidrina,acetonkyanhydrin,acetoncianhidrinei |
| IUPAC Name | 2-hydroxy-2-methylpropanenitrile |
| InChI Key | MWFMGBPGAXYFAR-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO |
1,3-Dichloroacetone, typically 99%, Thermo Scientific Chemicals
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 |
Tetramethyl orthocarbonate, 99%
CAS: 1850-14-2 Molecular Formula: C5H12O4 Molecular Weight (g/mol): 136.15 InChI Key: AHJWSRRHTXRLAQ-UHFFFAOYSA-N Synonym: tetramethyl orthocarbonate,methane, tetramethoxy,orthocarbonic acid tetramethyl ester,tetramethoxy-methane,tetramethylorthocarbonate,acmc-209emf,tetramethyl ortho carbonate,tetramethyl orthocarbonate, purum gc PubChem CID: 74613 IUPAC Name: tetramethoxymethane SMILES: COC(OC)(OC)OC
| PubChem CID | 74613 |
|---|---|
| CAS | 1850-14-2 |
| Molecular Weight (g/mol) | 136.15 |
| SMILES | COC(OC)(OC)OC |
| Synonym | tetramethyl orthocarbonate,methane, tetramethoxy,orthocarbonic acid tetramethyl ester,tetramethoxy-methane,tetramethylorthocarbonate,acmc-209emf,tetramethyl ortho carbonate,tetramethyl orthocarbonate, purum gc |
| IUPAC Name | tetramethoxymethane |
| InChI Key | AHJWSRRHTXRLAQ-UHFFFAOYSA-N |
| Molecular Formula | C5H12O4 |
Ethyl malonyl chloride, 95%
CAS: 36239-09-5 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000736 InChI Key: KWFADUNOPOSMIJ-UHFFFAOYSA-N Synonym: ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester PubChem CID: 118931 IUPAC Name: ethyl 3-chloro-3-oxopropanoate SMILES: CCOC(=O)CC(Cl)=O
| PubChem CID | 118931 |
|---|---|
| CAS | 36239-09-5 |
| Molecular Weight (g/mol) | 150.56 |
| MDL Number | MFCD00000736 |
| SMILES | CCOC(=O)CC(Cl)=O |
| Synonym | ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester |
| IUPAC Name | ethyl 3-chloro-3-oxopropanoate |
| InChI Key | KWFADUNOPOSMIJ-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO3 |
1-Pentadecanol, 99%
CAS: 629-76-5 Molecular Formula: C15H32O Molecular Weight (g/mol): 228.42 MDL Number: MFCD00004759 InChI Key: REIUXOLGHVXAEO-UHFFFAOYSA-N Synonym: 1-pentadecanol,pentadecyl alcohol,pentadecanol,n-pentadecanol,n-1-pentadecanol,neodol 5,unii-333qva4g2q,dsstox_cid_7270,dsstox_rid_78381,dsstox_gsid_27270 PubChem CID: 12397 ChEBI: CHEBI:77468 IUPAC Name: pentadecan-1-ol SMILES: CCCCCCCCCCCCCCCO
| PubChem CID | 12397 |
|---|---|
| CAS | 629-76-5 |
| Molecular Weight (g/mol) | 228.42 |
| ChEBI | CHEBI:77468 |
| MDL Number | MFCD00004759 |
| SMILES | CCCCCCCCCCCCCCCO |
| Synonym | 1-pentadecanol,pentadecyl alcohol,pentadecanol,n-pentadecanol,n-1-pentadecanol,neodol 5,unii-333qva4g2q,dsstox_cid_7270,dsstox_rid_78381,dsstox_gsid_27270 |
| IUPAC Name | pentadecan-1-ol |
| InChI Key | REIUXOLGHVXAEO-UHFFFAOYSA-N |
| Molecular Formula | C15H32O |
2-Carboxybenzaldehyde, 99%
CAS: 119-67-5 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.13 MDL Number: MFCD00003336 InChI Key: DYNFCHNNOHNJFG-UHFFFAOYSA-N Synonym: 2-carboxybenzaldehyde,phthalaldehydic acid,o-formylbenzoic acid,benzoic acid, 2-formyl,o-carboxybenzaldehyde,benzoic acid, formyl,benzaldehyde-2-carboxylic acid,formylbenzoic acid,carboxybenzaldehyde,pubchem7365 PubChem CID: 8406 ChEBI: CHEBI:17605 IUPAC Name: 2-formylbenzoic acid SMILES: C1=CC=C(C(=C1)C=O)C(=O)O
| PubChem CID | 8406 |
|---|---|
| CAS | 119-67-5 |
| Molecular Weight (g/mol) | 150.13 |
| ChEBI | CHEBI:17605 |
| MDL Number | MFCD00003336 |
| SMILES | C1=CC=C(C(=C1)C=O)C(=O)O |
| Synonym | 2-carboxybenzaldehyde,phthalaldehydic acid,o-formylbenzoic acid,benzoic acid, 2-formyl,o-carboxybenzaldehyde,benzoic acid, formyl,benzaldehyde-2-carboxylic acid,formylbenzoic acid,carboxybenzaldehyde,pubchem7365 |
| IUPAC Name | 2-formylbenzoic acid |
| InChI Key | DYNFCHNNOHNJFG-UHFFFAOYSA-N |
| Molecular Formula | C8H6O3 |
2-Bromo-2',4'-dimethoxyacetophenone, 98%
CAS: 60965-26-6 Molecular Formula: C10H11BrO3 Molecular Weight (g/mol): 259.099 MDL Number: MFCD00000197 InChI Key: PKVBZABQCCQHLD-UHFFFAOYSA-N Synonym: 2-bromo-1-2,4-dimethoxyphenyl ethanone,2-bromo-2',4'-dimethoxyacetophenone,2,4-dimethoxyphenacyl bromide,2-bromo-1-2',4'-dimethoxyphenyl ethanone,2-bromo-1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 2-bromo-1-2,4-dimethoxyphenyl,2-bromo-2',4'-dimethoxyacetopheneone,1-2,4-dimethoxyphenyl-2-bromoethan-1-one,pubchem13433,acmc-1ba4l PubChem CID: 98683 IUPAC Name: 2-bromo-1-(2,4-dimethoxyphenyl)ethanone SMILES: COC1=CC(=C(C=C1)C(=O)CBr)OC
| PubChem CID | 98683 |
|---|---|
| CAS | 60965-26-6 |
| Molecular Weight (g/mol) | 259.099 |
| MDL Number | MFCD00000197 |
| SMILES | COC1=CC(=C(C=C1)C(=O)CBr)OC |
| Synonym | 2-bromo-1-2,4-dimethoxyphenyl ethanone,2-bromo-2',4'-dimethoxyacetophenone,2,4-dimethoxyphenacyl bromide,2-bromo-1-2',4'-dimethoxyphenyl ethanone,2-bromo-1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 2-bromo-1-2,4-dimethoxyphenyl,2-bromo-2',4'-dimethoxyacetopheneone,1-2,4-dimethoxyphenyl-2-bromoethan-1-one,pubchem13433,acmc-1ba4l |
| IUPAC Name | 2-bromo-1-(2,4-dimethoxyphenyl)ethanone |
| InChI Key | PKVBZABQCCQHLD-UHFFFAOYSA-N |
| Molecular Formula | C10H11BrO3 |
2-Chloro-4-methoxypyrimidine, 98%
CAS: 22536-63-6 Molecular Formula: C5H5ClN2O Molecular Weight (g/mol): 144.56 MDL Number: MFCD00194055 InChI Key: BDXYNMVQMBCTDB-UHFFFAOYSA-N Synonym: 2-chloro-4-methoxy-pyrimidine,pyrimidine, 2-chloro-4-methoxy,acmc-20a0n4,2-chloro4-methoxypyrimidine,4-methoxy-2-chloropyrimidine,ksc494k1r,2-chloro-4-methoxypyrimidine,2-chloro-4-methyloxy pyrimidine,2-chloro-4-methoxy-1,2-diazine PubChem CID: 588935 IUPAC Name: 2-chloro-4-methoxypyrimidine SMILES: COC1=NC(=NC=C1)Cl
| PubChem CID | 588935 |
|---|---|
| CAS | 22536-63-6 |
| Molecular Weight (g/mol) | 144.56 |
| MDL Number | MFCD00194055 |
| SMILES | COC1=NC(=NC=C1)Cl |
| Synonym | 2-chloro-4-methoxy-pyrimidine,pyrimidine, 2-chloro-4-methoxy,acmc-20a0n4,2-chloro4-methoxypyrimidine,4-methoxy-2-chloropyrimidine,ksc494k1r,2-chloro-4-methoxypyrimidine,2-chloro-4-methyloxy pyrimidine,2-chloro-4-methoxy-1,2-diazine |
| IUPAC Name | 2-chloro-4-methoxypyrimidine |
| InChI Key | BDXYNMVQMBCTDB-UHFFFAOYSA-N |
| Molecular Formula | C5H5ClN2O |
Benzo-18-crown-6, 97%
CAS: 14098-24-9 Molecular Formula: C16H24O6 Molecular Weight (g/mol): 312.362 MDL Number: MFCD00062741 InChI Key: DSFHXKRFDFROER-UHFFFAOYSA-N PubChem CID: 585779 IUPAC Name: 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene SMILES: C1COCCOCCOC2=CC=CC=C2OCCOCCO1
| PubChem CID | 585779 |
|---|---|
| CAS | 14098-24-9 |
| Molecular Weight (g/mol) | 312.362 |
| MDL Number | MFCD00062741 |
| SMILES | C1COCCOCCOC2=CC=CC=C2OCCOCCO1 |
| IUPAC Name | 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene |
| InChI Key | DSFHXKRFDFROER-UHFFFAOYSA-N |
| Molecular Formula | C16H24O6 |
4-(2-Morpholin-4-ylethoxy)benzonitrile, 95%, Thermo Scientific™
CAS: 34334-04-8 Molecular Formula: C13H16N2O2 Molecular Weight (g/mol): 232.283 MDL Number: MFCD07772850 InChI Key: KQTJRPZKCNRDQC-UHFFFAOYSA-N Synonym: 4-2-morpholin-4-ylethoxy benzonitrile,4-2-morpholinoethoxy benzonitrile,4-2-morpholin-4-yl ethoxy benzonitrile,4-2-4-morpholinyl ethoxy benzonitrile,4-2-morpholin-4-yl-ethoxy-benzonitrile,benzonitrile,4-2-4-morpholinyl ethoxy,4-2-morpholin-4-ylethoxy benzenecarbonitrile,benzonitrile, 4-2-4-morpholinyl ethoxy PubChem CID: 2994074 IUPAC Name: 4-(2-morpholin-4-ylethoxy)benzonitrile SMILES: C1COCCN1CCOC2=CC=C(C=C2)C#N
| PubChem CID | 2994074 |
|---|---|
| CAS | 34334-04-8 |
| Molecular Weight (g/mol) | 232.283 |
| MDL Number | MFCD07772850 |
| SMILES | C1COCCN1CCOC2=CC=C(C=C2)C#N |
| Synonym | 4-2-morpholin-4-ylethoxy benzonitrile,4-2-morpholinoethoxy benzonitrile,4-2-morpholin-4-yl ethoxy benzonitrile,4-2-4-morpholinyl ethoxy benzonitrile,4-2-morpholin-4-yl-ethoxy-benzonitrile,benzonitrile,4-2-4-morpholinyl ethoxy,4-2-morpholin-4-ylethoxy benzenecarbonitrile,benzonitrile, 4-2-4-morpholinyl ethoxy |
| IUPAC Name | 4-(2-morpholin-4-ylethoxy)benzonitrile |
| InChI Key | KQTJRPZKCNRDQC-UHFFFAOYSA-N |
| Molecular Formula | C13H16N2O2 |
Benzyl 4-hydroxyphenyl ketone, 97%
CAS: 2491-32-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00002360 InChI Key: JBQTZLNCDIFCCO-UHFFFAOYSA-N Synonym: benzyl 4-hydroxyphenyl ketone,1-4-hydroxyphenyl-2-phenylethanone,4-hydroxydeoxybenzoin,acetophenone, 4'-hydroxy-2-phenyl,1-4-hydroxyphenyl-2-phenylethan-1-one,ethanone, 1-4-hydroxyphenyl-2-phenyl,acmc-20alpm,4-hydroxydesoxybenzoin,p-phenylacetyl phenol,maybridge3_000426 PubChem CID: 75607 IUPAC Name: 1-(4-hydroxyphenyl)-2-phenylethanone SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O
| PubChem CID | 75607 |
|---|---|
| CAS | 2491-32-9 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00002360 |
| SMILES | C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O |
| Synonym | benzyl 4-hydroxyphenyl ketone,1-4-hydroxyphenyl-2-phenylethanone,4-hydroxydeoxybenzoin,acetophenone, 4'-hydroxy-2-phenyl,1-4-hydroxyphenyl-2-phenylethan-1-one,ethanone, 1-4-hydroxyphenyl-2-phenyl,acmc-20alpm,4-hydroxydesoxybenzoin,p-phenylacetyl phenol,maybridge3_000426 |
| IUPAC Name | 1-(4-hydroxyphenyl)-2-phenylethanone |
| InChI Key | JBQTZLNCDIFCCO-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
4-Fluoro-1-indanone, 97%
CAS: 699-99-0 Molecular Formula: C9H7FO Molecular Weight (g/mol): 150.152 MDL Number: MFCD00797829 InChI Key: HOMSJDBZHCPYHY-UHFFFAOYSA-N Synonym: 4-fluoro-1-indanone,4-fluoro-2,3-dihydro-1h-inden-1-one,4-fluoro-indan-1-one,4-fluoroindan-1-one,1h-inden-1-one, 4-fluoro-2,3-dihydro,4-fluoro-2,3-dihydro-1-indenone,4-fluoroindane-1-one,acmc-20a8cy,4-fluoranyl-2,3-dihydroinden-1-one PubChem CID: 12174986 IUPAC Name: 4-fluoro-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C(=CC=C2)F
| PubChem CID | 12174986 |
|---|---|
| CAS | 699-99-0 |
| Molecular Weight (g/mol) | 150.152 |
| MDL Number | MFCD00797829 |
| SMILES | C1CC(=O)C2=C1C(=CC=C2)F |
| Synonym | 4-fluoro-1-indanone,4-fluoro-2,3-dihydro-1h-inden-1-one,4-fluoro-indan-1-one,4-fluoroindan-1-one,1h-inden-1-one, 4-fluoro-2,3-dihydro,4-fluoro-2,3-dihydro-1-indenone,4-fluoroindane-1-one,acmc-20a8cy,4-fluoranyl-2,3-dihydroinden-1-one |
| IUPAC Name | 4-fluoro-2,3-dihydroinden-1-one |
| InChI Key | HOMSJDBZHCPYHY-UHFFFAOYSA-N |
| Molecular Formula | C9H7FO |
11-Bromoundecanol, 97%
CAS: 1611-56-9 Molecular Formula: C11H23BrO Molecular Weight (g/mol): 251.21 MDL Number: MFCD00004752 InChI Key: XFGANBYCJWQYBI-UHFFFAOYSA-N Synonym: 11-bromo-1-undecanol,11-bromoundecanol,1-undecanol, 11-bromo,1-bromo-11-hydroxyundecane,undecamethylene bromohydrin,11-bromoundecyl alcohol,11-bromo-l-undecanol,11-bromoundecane-1-ol,11-bromanylundecan-1-ol,acmc-1br3a PubChem CID: 74163 IUPAC Name: 11-bromoundecan-1-ol SMILES: OCCCCCCCCCCCBr
| PubChem CID | 74163 |
|---|---|
| CAS | 1611-56-9 |
| Molecular Weight (g/mol) | 251.21 |
| MDL Number | MFCD00004752 |
| SMILES | OCCCCCCCCCCCBr |
| Synonym | 11-bromo-1-undecanol,11-bromoundecanol,1-undecanol, 11-bromo,1-bromo-11-hydroxyundecane,undecamethylene bromohydrin,11-bromoundecyl alcohol,11-bromo-l-undecanol,11-bromoundecane-1-ol,11-bromanylundecan-1-ol,acmc-1br3a |
| IUPAC Name | 11-bromoundecan-1-ol |
| InChI Key | XFGANBYCJWQYBI-UHFFFAOYSA-N |
| Molecular Formula | C11H23BrO |