Organooxygen compounds
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Polyoxyl 40 Stearate, Type II, NF, Spectrum™ Chemical
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CAS: 9004-99-3 Molecular Formula: C20H40O3 Molecular Weight (g/mol): 328.54 InChI Key: RFVNOJDQRGSOEL-UHFFFAOYSA-N IUPAC Name: 2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCO
| CAS | 9004-99-3 |
|---|---|
| Molecular Weight (g/mol) | 328.54 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCO |
| IUPAC Name | 2-hydroxyethyl octadecanoate |
| InChI Key | RFVNOJDQRGSOEL-UHFFFAOYSA-N |
| Molecular Formula | C20H40O3 |
Bis(2-methoxyethyl) phthalate, 96%, Thermo Scientific Chemicals
CAS: 117-82-8 Molecular Formula: C14H18O6 Molecular Weight (g/mol): 282.29 MDL Number: MFCD00042842 InChI Key: HSUIVCLOAAJSRE-UHFFFAOYSA-N Synonym: bis 2-methoxyethyl phthalate,kesscoflex mcp,2-methoxyethyl phthalate,dmep,bis methoxyethyl phthalate,di 2-methoxyethyl phthalate,kodaflex dmep,methyl glycol phthalate,dimethoxyethyl phthalate,dimethylglycol phthalate PubChem CID: 8344 IUPAC Name: bis(2-methoxyethyl) benzene-1,2-dicarboxylate SMILES: COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC
| PubChem CID | 8344 |
|---|---|
| CAS | 117-82-8 |
| Molecular Weight (g/mol) | 282.29 |
| MDL Number | MFCD00042842 |
| SMILES | COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC |
| Synonym | bis 2-methoxyethyl phthalate,kesscoflex mcp,2-methoxyethyl phthalate,dmep,bis methoxyethyl phthalate,di 2-methoxyethyl phthalate,kodaflex dmep,methyl glycol phthalate,dimethoxyethyl phthalate,dimethylglycol phthalate |
| IUPAC Name | bis(2-methoxyethyl) benzene-1,2-dicarboxylate |
| InChI Key | HSUIVCLOAAJSRE-UHFFFAOYSA-N |
| Molecular Formula | C14H18O6 |
2-Chloro-3-pyridinecarboxaldehyde, 98%
CAS: 36404-88-3 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.56 MDL Number: MFCD01315308 InChI Key: KHPAGGHFIDLUMB-UHFFFAOYSA-N Synonym: 2-chloro-3-formylpyridine,2-chloronicotinaldehyde,2-chloro-3-pyridinecarboxaldehyde,2-chloro-pyridine-3-carbaldehyde,chloro-2-formyl-3-pyridine,2-chloropyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-chloro,2-chloro-3-pyridinecarbaldehyde,2-chloro-3-pyridinecarboxyaldehyde,2-chloro-pyridin-3-carbaldehyde PubChem CID: 737607 IUPAC Name: 2-chloropyridine-3-carbaldehyde SMILES: C1=CC(=C(N=C1)Cl)C=O
| PubChem CID | 737607 |
|---|---|
| CAS | 36404-88-3 |
| Molecular Weight (g/mol) | 141.56 |
| MDL Number | MFCD01315308 |
| SMILES | C1=CC(=C(N=C1)Cl)C=O |
| Synonym | 2-chloro-3-formylpyridine,2-chloronicotinaldehyde,2-chloro-3-pyridinecarboxaldehyde,2-chloro-pyridine-3-carbaldehyde,chloro-2-formyl-3-pyridine,2-chloropyridine-3-carboxaldehyde,3-pyridinecarboxaldehyde, 2-chloro,2-chloro-3-pyridinecarbaldehyde,2-chloro-3-pyridinecarboxyaldehyde,2-chloro-pyridin-3-carbaldehyde |
| IUPAC Name | 2-chloropyridine-3-carbaldehyde |
| InChI Key | KHPAGGHFIDLUMB-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
Pyruvic aldehyde, 35-45% w/w aq. soln
CAS: 78-98-8 Molecular Formula: C3H4O2 Molecular Weight (g/mol): 72.06 MDL Number: MFCD00006960 InChI Key: AIJULSRZWUXGPQ-UHFFFAOYSA-N Synonym: methylglyoxal,pyruvaldehyde,pyruvic aldehyde,acetylformaldehyde,acetylformyl,propanal, 2-oxo,2-ketopropionaldehyde,propanedione,propanolone,methyl glyoxal PubChem CID: 880 ChEBI: CHEBI:17158 IUPAC Name: 2-oxopropanal SMILES: CC(=O)C=O
| PubChem CID | 880 |
|---|---|
| CAS | 78-98-8 |
| Molecular Weight (g/mol) | 72.06 |
| ChEBI | CHEBI:17158 |
| MDL Number | MFCD00006960 |
| SMILES | CC(=O)C=O |
| Synonym | methylglyoxal,pyruvaldehyde,pyruvic aldehyde,acetylformaldehyde,acetylformyl,propanal, 2-oxo,2-ketopropionaldehyde,propanedione,propanolone,methyl glyoxal |
| IUPAC Name | 2-oxopropanal |
| InChI Key | AIJULSRZWUXGPQ-UHFFFAOYSA-N |
| Molecular Formula | C3H4O2 |
6-Bromoisatin, 95%
CAS: 6326-79-0 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.03 MDL Number: MFCD01631138 InChI Key: HVPQMLZLINVIHW-UHFFFAOYSA-N Synonym: 6-bromoisatin,6-bromoindoline-2,3-dione,6-bromo-isatin,1h-indole-2,3-dione, 6-bromo,6-bromoindole-2,3-dione,6-bromo-2,3-dihydro-1h-indole-2,3-dione,6-bromo-1h-benzo d azolidine-2,3-dione,6-bromoindolin-2,3-dione,6-bromo-2,3-indolinedione PubChem CID: 95716 SMILES: BrC1=CC=C2C(NC(=O)C2=O)=C1
| PubChem CID | 95716 |
|---|---|
| CAS | 6326-79-0 |
| Molecular Weight (g/mol) | 226.03 |
| MDL Number | MFCD01631138 |
| SMILES | BrC1=CC=C2C(NC(=O)C2=O)=C1 |
| Synonym | 6-bromoisatin,6-bromoindoline-2,3-dione,6-bromo-isatin,1h-indole-2,3-dione, 6-bromo,6-bromoindole-2,3-dione,6-bromo-2,3-dihydro-1h-indole-2,3-dione,6-bromo-1h-benzo d azolidine-2,3-dione,6-bromoindolin-2,3-dione,6-bromo-2,3-indolinedione |
| InChI Key | HVPQMLZLINVIHW-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrNO2 |
6-Methyl-3,5-heptadiene-2-one, 96%, Thermo Scientific™
CAS: 1604-28-0 Molecular Formula: C8H12O Molecular Weight (g/mol): 124.18 InChI Key: KSKXSFZGARKWOW-GQCTYLIASA-N Synonym: 6-methyl-3,5-heptadien-2-one,6-methylhepta-3,5-dien-2-one,methylheptadienone,unii-p7cmp2e76c,3,5-heptadien-2-one, 6-methyl,3e-6-methylhepta-3,5-dien-2-one,3,5-heptadien-2-one, 6-methyl-, e,6-methyl-trans-3,5-heptadien-2-one,p7cmp2e76c,fema no. 3363 PubChem CID: 5370101 IUPAC Name: (3E)-6-methylhepta-3,5-dien-2-one SMILES: CC(=CC=CC(=O)C)C
| PubChem CID | 5370101 |
|---|---|
| CAS | 1604-28-0 |
| Molecular Weight (g/mol) | 124.18 |
| SMILES | CC(=CC=CC(=O)C)C |
| Synonym | 6-methyl-3,5-heptadien-2-one,6-methylhepta-3,5-dien-2-one,methylheptadienone,unii-p7cmp2e76c,3,5-heptadien-2-one, 6-methyl,3e-6-methylhepta-3,5-dien-2-one,3,5-heptadien-2-one, 6-methyl-, e,6-methyl-trans-3,5-heptadien-2-one,p7cmp2e76c,fema no. 3363 |
| IUPAC Name | (3E)-6-methylhepta-3,5-dien-2-one |
| InChI Key | KSKXSFZGARKWOW-GQCTYLIASA-N |
| Molecular Formula | C8H12O |
1,1,1-Trifluoro-5-methyl-2,4-hexanedione, 97%, Thermo Scientific™
CAS: 30984-28-2 Molecular Formula: C7H9F3O2 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00045106 InChI Key: QDJWKASBKAMIDF-ZZXKWVIFSA-N Synonym: 1,1,1-trifluoro-5-methyl-2,4-hexanedione,trifluoroacetyl isobutyrylmethane,2,4-hexanedione, 1,1,1-trifluoro-5-methyl,5-methyl-1,1,1-trifluoro-2,4-hexanedione,2,4-hexanedione,1,1,1-trifluoro-5-methyl,tos-bb-0654,2,4-dioxo-5-methyl-1,1,1-trifluorohexane,5-methyl-1,1,1-trifluorohexane-2,4-dione PubChem CID: 160191 IUPAC Name: 1,1,1-trifluoro-5-methylhexane-2,4-dione SMILES: CC(C)C(=O)\C=C(\O)C(F)(F)F
| PubChem CID | 160191 |
|---|---|
| CAS | 30984-28-2 |
| Molecular Weight (g/mol) | 182.14 |
| MDL Number | MFCD00045106 |
| SMILES | CC(C)C(=O)\C=C(\O)C(F)(F)F |
| Synonym | 1,1,1-trifluoro-5-methyl-2,4-hexanedione,trifluoroacetyl isobutyrylmethane,2,4-hexanedione, 1,1,1-trifluoro-5-methyl,5-methyl-1,1,1-trifluoro-2,4-hexanedione,2,4-hexanedione,1,1,1-trifluoro-5-methyl,tos-bb-0654,2,4-dioxo-5-methyl-1,1,1-trifluorohexane,5-methyl-1,1,1-trifluorohexane-2,4-dione |
| IUPAC Name | 1,1,1-trifluoro-5-methylhexane-2,4-dione |
| InChI Key | QDJWKASBKAMIDF-ZZXKWVIFSA-N |
| Molecular Formula | C7H9F3O2 |
Methyl nicotinoylacetate, 95%
CAS: 54950-20-8 Molecular Formula: C9H9NO3 Molecular Weight (g/mol): 179.18 MDL Number: MFCD00216524 InChI Key: JUQKVXRLRKKRPL-UHFFFAOYSA-N Synonym: methyl nicotinoylacetate,methyl 3-oxo-3-pyridin-3-yl propanoate,3-oxo-3-pyridin-3-ylpropionic acid methyl ester,3-pyridinepropanoic acid, .beta.-oxo-, methyl ester,methyl 3-oxo-3-3-pyridyl propanoate,methyl 3-pyridinecarbonyl acetate,methyl 2-nicotinoyl acetate,3-pyridinepropanoic acid, beta-oxo-, methyl ester,methyl-3-oxo-3 3-pyridinyl propanoate PubChem CID: 108645 IUPAC Name: methyl 3-oxo-3-pyridin-3-ylpropanoate SMILES: COC(=O)CC(=O)C1=CC=CN=C1
| PubChem CID | 108645 |
|---|---|
| CAS | 54950-20-8 |
| Molecular Weight (g/mol) | 179.18 |
| MDL Number | MFCD00216524 |
| SMILES | COC(=O)CC(=O)C1=CC=CN=C1 |
| Synonym | methyl nicotinoylacetate,methyl 3-oxo-3-pyridin-3-yl propanoate,3-oxo-3-pyridin-3-ylpropionic acid methyl ester,3-pyridinepropanoic acid, .beta.-oxo-, methyl ester,methyl 3-oxo-3-3-pyridyl propanoate,methyl 3-pyridinecarbonyl acetate,methyl 2-nicotinoyl acetate,3-pyridinepropanoic acid, beta-oxo-, methyl ester,methyl-3-oxo-3 3-pyridinyl propanoate |
| IUPAC Name | methyl 3-oxo-3-pyridin-3-ylpropanoate |
| InChI Key | JUQKVXRLRKKRPL-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO3 |
2-Amino-4'-bromoacetophenone hydrochloride, 97%, Thermo Scientific™
CAS: 5467-72-1 Molecular Formula: C8H8BrNO·ClH Molecular Weight (g/mol): 250.52 MDL Number: MFCD00051998 InChI Key: ROAVTVXTYFSQEA-UHFFFAOYSA-N Synonym: 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl PubChem CID: 2798216 IUPAC Name: 2-amino-1-(4-bromophenyl)ethanone;hydrochloride SMILES: C1=CC(=CC=C1C(=O)CN)Br.Cl
| PubChem CID | 2798216 |
|---|---|
| CAS | 5467-72-1 |
| Molecular Weight (g/mol) | 250.52 |
| MDL Number | MFCD00051998 |
| SMILES | C1=CC(=CC=C1C(=O)CN)Br.Cl |
| Synonym | 4-bromophenacylamine hydrochloride,2-amino-4'-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethanone hydrochloride,2-amino-4'-bromoacetophenone hcl,2-amino-4-bromoacetophenone hydrochloride,2-amino-1-4-bromophenyl ethan-1-one hydrochloride,a-amino-4'-bromoacetophenone,ethanone, 2-amino-1-4-bromophenyl-, hydrochloride,2-amino-1-4-bromophenyl ethan-1-one,ethanone, 2-amino-1-4-bromophenyl |
| IUPAC Name | 2-amino-1-(4-bromophenyl)ethanone;hydrochloride |
| InChI Key | ROAVTVXTYFSQEA-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrNO·ClH |
4-Pyridinecarboxaldehyde, 98%
CAS: 872-85-5 Molecular Formula: C6H5NO Molecular Weight (g/mol): 107.11 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) | 107.11 |
| 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 |
2-Chlorocyclohexanone, 97%, stab. with calcium carbonate/magnesium oxide
CAS: 822-87-7 Molecular Formula: C6H9ClO Molecular Weight (g/mol): 132.59 MDL Number: MFCD00001626 InChI Key: CCHNWURRBFGQCD-UHFFFAOYNA-N Synonym: 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted PubChem CID: 13203 IUPAC Name: 2-chlorocyclohexan-1-one SMILES: ClC1CCCCC1=O
| PubChem CID | 13203 |
|---|---|
| CAS | 822-87-7 |
| Molecular Weight (g/mol) | 132.59 |
| MDL Number | MFCD00001626 |
| SMILES | ClC1CCCCC1=O |
| Synonym | 2-chlorocyclohexanone,cyclohexanone, 2-chloro,alpha-chlorocyclohexanone,2-chlorocyclohexonone,.alpha.-chlorocyclohexanone,2-chlorocyclohexanon,2-chlorocylohexanone,2-chloro cyclohexanone,2-chloro-cyclohexanone,acmc-209ted |
| IUPAC Name | 2-chlorocyclohexan-1-one |
| InChI Key | CCHNWURRBFGQCD-UHFFFAOYNA-N |
| Molecular Formula | C6H9ClO |
6-Methoxy-2(3H)-benzoxazolone, 98+%
CAS: 532-91-2 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD00051726 InChI Key: MKMCJLMBVKHUMS-UHFFFAOYSA-N Synonym: coixol,6-methoxy-2-benzoxazolinone,6-methoxybenzo d oxazol-2 3h-one,6-methoxybenzoxazolinone,mboa,6-mboa,6-methoxy-2 3h-benzoxazolone,2-benzoxazolinone, 6-methoxy,2 3h-benzoxazolone, 6-methoxy,6-methoxy-1,3-benzoxazol-2 3h-one PubChem CID: 10772 IUPAC Name: 6-methoxy-3H-1,3-benzoxazol-2-one SMILES: COC1=CC2=C(C=C1)NC(=O)O2
| PubChem CID | 10772 |
|---|---|
| CAS | 532-91-2 |
| Molecular Weight (g/mol) | 165.148 |
| MDL Number | MFCD00051726 |
| SMILES | COC1=CC2=C(C=C1)NC(=O)O2 |
| Synonym | coixol,6-methoxy-2-benzoxazolinone,6-methoxybenzo d oxazol-2 3h-one,6-methoxybenzoxazolinone,mboa,6-mboa,6-methoxy-2 3h-benzoxazolone,2-benzoxazolinone, 6-methoxy,2 3h-benzoxazolone, 6-methoxy,6-methoxy-1,3-benzoxazol-2 3h-one |
| IUPAC Name | 6-methoxy-3H-1,3-benzoxazol-2-one |
| InChI Key | MKMCJLMBVKHUMS-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
Methyl 4-methoxycarbonylbenzoylacetate, 95%, Thermo Scientific™
CAS: 22027-52-7 Molecular Formula: C13H14O5 Molecular Weight (g/mol): 250.25 MDL Number: MFCD00800637 InChI Key: GFDCYWYWNSTMDX-UHFFFAOYSA-N PubChem CID: 3864207 IUPAC Name: methyl 4-(3-methoxy-3-oxopropanoyl)benzoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)C(=O)OC
| PubChem CID | 3864207 |
|---|---|
| CAS | 22027-52-7 |
| Molecular Weight (g/mol) | 250.25 |
| MDL Number | MFCD00800637 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)C(=O)OC |
| IUPAC Name | methyl 4-(3-methoxy-3-oxopropanoyl)benzoate |
| InChI Key | GFDCYWYWNSTMDX-UHFFFAOYSA-N |
| Molecular Formula | C13H14O5 |
2,6-Dichlorophenethyl alcohol, 96%
CAS: 30595-79-0 Molecular Formula: C8H8Cl2O Molecular Weight (g/mol): 191.05 MDL Number: MFCD00800674 InChI Key: ZBQPKQUIKJDGIX-UHFFFAOYSA-N Synonym: 2,6-dichlorophenethyl alcohol,2-2,6-dichlorophenyl ethanol,2,6-dichlorophenethylalcohol,2-2,6-dichlorophenyl ethan-1-ol,2,6-dichlorophenethanol,benzeneethanol, 2,6-dichloro,acmc-209hha,2,6-dichlorobenzeneethanol,ksc493m0h,benzeneethanol,2,6-dichloro PubChem CID: 2734100 IUPAC Name: 2-(2,6-dichlorophenyl)ethanol SMILES: OCCC1=C(Cl)C=CC=C1Cl
| PubChem CID | 2734100 |
|---|---|
| CAS | 30595-79-0 |
| Molecular Weight (g/mol) | 191.05 |
| MDL Number | MFCD00800674 |
| SMILES | OCCC1=C(Cl)C=CC=C1Cl |
| Synonym | 2,6-dichlorophenethyl alcohol,2-2,6-dichlorophenyl ethanol,2,6-dichlorophenethylalcohol,2-2,6-dichlorophenyl ethan-1-ol,2,6-dichlorophenethanol,benzeneethanol, 2,6-dichloro,acmc-209hha,2,6-dichlorobenzeneethanol,ksc493m0h,benzeneethanol,2,6-dichloro |
| IUPAC Name | 2-(2,6-dichlorophenyl)ethanol |
| InChI Key | ZBQPKQUIKJDGIX-UHFFFAOYSA-N |
| Molecular Formula | C8H8Cl2O |