Organooxygen compounds
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trans-2-Nonenal 95.0+%, TCI America™
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CAS: 18829-56-6 Molecular Formula: C9H16O Molecular Weight (g/mol): 140.226 MDL Number: MFCD00007012 InChI Key: BSAIUMLZVGUGKX-BQYQJAHWSA-N Synonym: trans-2-nonenal,2-nonenal,e-2-nonenal,e-non-2-enal,3-hexylacrolein,2-nonenal, 2e,beta-hexylacrolein,2-nonenal, e,heptylideneacetaldehyde,alpha-nonenyl aldehyde PubChem CID: 5283335 IUPAC Name: (E)-non-2-enal SMILES: CCCCCCC=CC=O
| PubChem CID | 5283335 |
|---|---|
| CAS | 18829-56-6 |
| Molecular Weight (g/mol) | 140.226 |
| MDL Number | MFCD00007012 |
| SMILES | CCCCCCC=CC=O |
| Synonym | trans-2-nonenal,2-nonenal,e-2-nonenal,e-non-2-enal,3-hexylacrolein,2-nonenal, 2e,beta-hexylacrolein,2-nonenal, e,heptylideneacetaldehyde,alpha-nonenyl aldehyde |
| IUPAC Name | (E)-non-2-enal |
| InChI Key | BSAIUMLZVGUGKX-BQYQJAHWSA-N |
| Molecular Formula | C9H16O |
Methyl Fumaraldehydate 96.0+%, TCI America™
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CAS: 5837-72-9 Molecular Formula: C5H6O3 Molecular Weight (g/mol): 114.1 MDL Number: MFCD00191651 InChI Key: CRBJVPSOOMDSPT-NSCUHMNNSA-N Synonym: 3-(Methoxycarbonyl)-2-propenal, Fumaraldehydic Acid Methyl Ester, 3-(Methoxycarbonyl)acrylaldehyde PubChem CID: 5364747 IUPAC Name: methyl (E)-4-oxobut-2-enoate SMILES: COC(=O)C=CC=O
| PubChem CID | 5364747 |
|---|---|
| CAS | 5837-72-9 |
| Molecular Weight (g/mol) | 114.1 |
| MDL Number | MFCD00191651 |
| SMILES | COC(=O)C=CC=O |
| Synonym | 3-(Methoxycarbonyl)-2-propenal, Fumaraldehydic Acid Methyl Ester, 3-(Methoxycarbonyl)acrylaldehyde |
| IUPAC Name | methyl (E)-4-oxobut-2-enoate |
| InChI Key | CRBJVPSOOMDSPT-NSCUHMNNSA-N |
| Molecular Formula | C5H6O3 |
4-Cyclohexylcyclohexanol (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 2433-14-9 Molecular Formula: C12H22O Molecular Weight (g/mol): 182.31 MDL Number: MFCD00060071,MFCD13185038 InChI Key: AFKMHDZOVNDWLO-UHFFFAOYSA-N PubChem CID: 75518 IUPAC Name: [1,1'-bi(cyclohexane)]-4-ol SMILES: OC1CCC(CC1)C1CCCCC1
| PubChem CID | 75518 |
|---|---|
| CAS | 2433-14-9 |
| Molecular Weight (g/mol) | 182.31 |
| MDL Number | MFCD00060071,MFCD13185038 |
| SMILES | OC1CCC(CC1)C1CCCCC1 |
| IUPAC Name | [1,1'-bi(cyclohexane)]-4-ol |
| InChI Key | AFKMHDZOVNDWLO-UHFFFAOYSA-N |
| Molecular Formula | C12H22O |
3,5-Di-tert-butyl-4-hydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 1620-98-0 Molecular Formula: C15H22O2 Molecular Weight (g/mol): 234.339 MDL Number: MFCD00008826 InChI Key: DOZRDZLFLOODMB-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzaldehyde,3,5-di-t-butyl-4-hydroxybenzaldehyde,unii-95vti93vul,benzaldehyde, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzaldehyde, 3,5-di-tert-butyl-4-hydroxy,95vti93vul,3,5-ditert-butyl-4-hydroxy-benzaldehyde,3,5-di tert-butyl-4-hydroxybenzaldehyde,3,5-di-tert-butyl-4-hydroxy-benzaldehyde,3,5-bis tert-butyl-4-hydroxybenzaldehyde PubChem CID: 73219 IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzaldehyde SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O
| PubChem CID | 73219 |
|---|---|
| CAS | 1620-98-0 |
| Molecular Weight (g/mol) | 234.339 |
| MDL Number | MFCD00008826 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O |
| Synonym | 3,5-di-tert-butyl-4-hydroxybenzaldehyde,3,5-di-t-butyl-4-hydroxybenzaldehyde,unii-95vti93vul,benzaldehyde, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzaldehyde, 3,5-di-tert-butyl-4-hydroxy,95vti93vul,3,5-ditert-butyl-4-hydroxy-benzaldehyde,3,5-di tert-butyl-4-hydroxybenzaldehyde,3,5-di-tert-butyl-4-hydroxy-benzaldehyde,3,5-bis tert-butyl-4-hydroxybenzaldehyde |
| IUPAC Name | 3,5-ditert-butyl-4-hydroxybenzaldehyde |
| InChI Key | DOZRDZLFLOODMB-UHFFFAOYSA-N |
| Molecular Formula | C15H22O2 |
2'-Acetoxyacetophenone 98.0+%, TCI America™
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CAS: 7250-94-4 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017223 InChI Key: WWEDAIJJBDFOOK-UHFFFAOYSA-N Synonym: 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci PubChem CID: 16716 IUPAC Name: 2-acetylphenyl acetate SMILES: CC(=O)OC1=CC=CC=C1C(C)=O
| PubChem CID | 16716 |
|---|---|
| CAS | 7250-94-4 |
| Molecular Weight (g/mol) | 178.19 |
| MDL Number | MFCD00017223 |
| SMILES | CC(=O)OC1=CC=CC=C1C(C)=O |
| Synonym | 2'-acetoxyacetophenone,2-acetylphenyl acetate,ethanone, 1-2-acetyloxy phenyl,o-acetoxyacetophenone,2'-acetoxy acetophenone,maybridge1_002653,acmc-209on8,acetic acid 2-acetyl-phenyl ester,acetophenone, 2-hydroxy-, acetate 8ci |
| IUPAC Name | 2-acetylphenyl acetate |
| InChI Key | WWEDAIJJBDFOOK-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
Ethyl 4-Acetylbenzoate 97.0+%, TCI America™
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CAS: 38430-55-6 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.21 MDL Number: MFCD00013241 InChI Key: GLOAPLPTWAXAIG-UHFFFAOYSA-N PubChem CID: 600911 IUPAC Name: ethyl 4-acetylbenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)C(C)=O
| PubChem CID | 600911 |
|---|---|
| CAS | 38430-55-6 |
| Molecular Weight (g/mol) | 192.21 |
| MDL Number | MFCD00013241 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C(C)=O |
| IUPAC Name | ethyl 4-acetylbenzoate |
| InChI Key | GLOAPLPTWAXAIG-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
2-Methoxy-5-pyrimidylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2736778 |
|---|---|
| CAS | 628692-15-9 |
| Molecular Weight (g/mol) | 153.932 |
| MDL Number | MFCD03094664 |
| Color | Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CN=C(N=C1)OC)(O)O |
| TSCA | No |
| IUPAC Name | (2-methoxypyrimidin-5-yl)boronic acid |
| InChI Key | YPWAJLGHACDYQS-UHFFFAOYSA-N |
| Molecular Formula | C5H7BN2O3 |
| Formula Weight | 153.93 |
| Melting Point | 161°C |
1,3-Bis(methylthio)-2-methoxypropane 97.0+%, TCI America™
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CAS: 31805-84-2 Molecular Formula: C6H14OS2 Molecular Weight (g/mol): 166.297 MDL Number: MFCD00026040 InChI Key: MOISORXUYSHXRU-UHFFFAOYSA-N Synonym: 1,3-bis methylthio-2-methoxypropane,2-methoxy-1,3-bis methylsulfanyl propane,2-methoxy-1,3-bis methylthio propane,1,3-bis-methylthio-2-methoxypropane,propane, 2-methoxy-1,3-bis methylthio,acmc-1cktt,moisorxuyshxru-uhfffaoysa,propane,2-methoxy-1,3-bis methylthio,2-methoxy-1,3-bis methylsulfanyl-propane,2-methoxy-1,3-bis methylsulfanyl propane # PubChem CID: 520544 IUPAC Name: 2-methoxy-1,3-bis(methylsulfanyl)propane SMILES: COC(CSC)CSC
| PubChem CID | 520544 |
|---|---|
| CAS | 31805-84-2 |
| Molecular Weight (g/mol) | 166.297 |
| MDL Number | MFCD00026040 |
| SMILES | COC(CSC)CSC |
| Synonym | 1,3-bis methylthio-2-methoxypropane,2-methoxy-1,3-bis methylsulfanyl propane,2-methoxy-1,3-bis methylthio propane,1,3-bis-methylthio-2-methoxypropane,propane, 2-methoxy-1,3-bis methylthio,acmc-1cktt,moisorxuyshxru-uhfffaoysa,propane,2-methoxy-1,3-bis methylthio,2-methoxy-1,3-bis methylsulfanyl-propane,2-methoxy-1,3-bis methylsulfanyl propane # |
| IUPAC Name | 2-methoxy-1,3-bis(methylsulfanyl)propane |
| InChI Key | MOISORXUYSHXRU-UHFFFAOYSA-N |
| Molecular Formula | C6H14OS2 |
3',4'-Dihydroxyacetophenone 98.0+%, TCI America™
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CAS: 1197-09-7 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00016439 InChI Key: UCQUAMAQHHEXGD-UHFFFAOYSA-N Synonym: 4-Acetocatechol, 4-Acetylpyrocatechol PubChem CID: 14530 ChEBI: CHEBI:19868 IUPAC Name: 1-(3,4-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)O)O
| PubChem CID | 14530 |
|---|---|
| CAS | 1197-09-7 |
| Molecular Weight (g/mol) | 152.149 |
| ChEBI | CHEBI:19868 |
| MDL Number | MFCD00016439 |
| SMILES | CC(=O)C1=CC(=C(C=C1)O)O |
| Synonym | 4-Acetocatechol, 4-Acetylpyrocatechol |
| IUPAC Name | 1-(3,4-dihydroxyphenyl)ethanone |
| InChI Key | UCQUAMAQHHEXGD-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
3-Methylpyrazole-4-carboxaldehyde 98.0+%, TCI America™
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CAS: 112758-40-4 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD01313822 InChI Key: NWDMGTFNIOCVDU-UHFFFAOYSA-N Synonym: 3-methyl-1h-pyrazole-4-carbaldehyde,3-methyl-1h-pyrazole-4-carboxaldehyde,3-methylpyrazole-4-carboxaldehyde,3-methylpyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde, 3-methyl,3-methyl-2h-pyrazole-4-carbaldehyde,5-methylpyrazole-4-carbaldehyde,pubchem16065,acmc-1brby,4-formyl-3-methylpyrazole PubChem CID: 2760056 IUPAC Name: 5-methyl-1H-pyrazole-4-carbaldehyde SMILES: CC1=C(C=O)C=NN1
| PubChem CID | 2760056 |
|---|---|
| CAS | 112758-40-4 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD01313822 |
| SMILES | CC1=C(C=O)C=NN1 |
| Synonym | 3-methyl-1h-pyrazole-4-carbaldehyde,3-methyl-1h-pyrazole-4-carboxaldehyde,3-methylpyrazole-4-carboxaldehyde,3-methylpyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde, 3-methyl,3-methyl-2h-pyrazole-4-carbaldehyde,5-methylpyrazole-4-carbaldehyde,pubchem16065,acmc-1brby,4-formyl-3-methylpyrazole |
| IUPAC Name | 5-methyl-1H-pyrazole-4-carbaldehyde |
| InChI Key | NWDMGTFNIOCVDU-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
Diethyl Propylmalonate 98.0+%, TCI America™
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CAS: 2163-48-6 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00009168 InChI Key: GRRSDGHTSMJICM-UHFFFAOYSA-N Synonym: diethyl propylmalonate,diethyl 2-propylmalonate,1,3-diethyl 2-propylpropanedioate,diethyl n-propylmalonate,diethylpropylmalonate,propylmalonic acid diethyl ester,propanedioic acid, propyl-, diethyl ester,diethyl-n-propylmalonate,malonic acid, propyl-, diethyl ester,diethyl propyl malonate PubChem CID: 16552 IUPAC Name: diethyl 2-propylpropanedioate SMILES: CCCC(C(=O)OCC)C(=O)OCC
| PubChem CID | 16552 |
|---|---|
| CAS | 2163-48-6 |
| Molecular Weight (g/mol) | 202.25 |
| MDL Number | MFCD00009168 |
| SMILES | CCCC(C(=O)OCC)C(=O)OCC |
| Synonym | diethyl propylmalonate,diethyl 2-propylmalonate,1,3-diethyl 2-propylpropanedioate,diethyl n-propylmalonate,diethylpropylmalonate,propylmalonic acid diethyl ester,propanedioic acid, propyl-, diethyl ester,diethyl-n-propylmalonate,malonic acid, propyl-, diethyl ester,diethyl propyl malonate |
| IUPAC Name | diethyl 2-propylpropanedioate |
| InChI Key | GRRSDGHTSMJICM-UHFFFAOYSA-N |
| Molecular Formula | C10H18O4 |
3-Methyl-2-butenal 97.0+%, TCI America™
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CAS: 107-86-8 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00010291 InChI Key: SEPQTYODOKLVSB-UHFFFAOYSA-N Synonym: 3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde PubChem CID: 61020 ChEBI: CHEBI:15825 IUPAC Name: 3-methylbut-2-enal SMILES: CC(=CC=O)C
| PubChem CID | 61020 |
|---|---|
| CAS | 107-86-8 |
| Molecular Weight (g/mol) | 84.118 |
| ChEBI | CHEBI:15825 |
| MDL Number | MFCD00010291 |
| SMILES | CC(=CC=O)C |
| Synonym | 3-methyl-2-butenal,prenal,3-methylcrotonaldehyde,senecialdehyde,3,3-dimethylacrolein,senecioaldehyde,2-butenal, 3-methyl,beta,beta-dimethylacrolein,crotonaldehyde, 3-methyl,beta-methylcrotonaldehyde |
| IUPAC Name | 3-methylbut-2-enal |
| InChI Key | SEPQTYODOKLVSB-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
2-Amino-6-ethoxybenzothiazole 97.0+%, TCI America™
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CAS: 94-45-1 Molecular Formula: C9H10N2OS Molecular Weight (g/mol): 194.252 MDL Number: MFCD00005788 InChI Key: KOYJWFGMEBETBU-UHFFFAOYSA-N Synonym: 2-amino-6-ethoxybenzothiazole,2-benzothiazolamine, 6-ethoxy,6-ethoxy-2-aminobenzothiazole,6-ethoxy-benzothiazol-2-ylamine,6-ethoxy-2-benzothiazolamine,6-ethoxybenzothiazol-2-ylamine,benzothiazole, 2-amino-6-ethoxy,unii-d621hz191d,amino-6-ethoxybenzothiazole, 2,2-benzothiazolamine, 6-ethoxy-9ci PubChem CID: 7192 IUPAC Name: 6-ethoxy-1,3-benzothiazol-2-amine SMILES: CCOC1=CC2=C(C=C1)N=C(S2)N
| PubChem CID | 7192 |
|---|---|
| CAS | 94-45-1 |
| Molecular Weight (g/mol) | 194.252 |
| MDL Number | MFCD00005788 |
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)N |
| Synonym | 2-amino-6-ethoxybenzothiazole,2-benzothiazolamine, 6-ethoxy,6-ethoxy-2-aminobenzothiazole,6-ethoxy-benzothiazol-2-ylamine,6-ethoxy-2-benzothiazolamine,6-ethoxybenzothiazol-2-ylamine,benzothiazole, 2-amino-6-ethoxy,unii-d621hz191d,amino-6-ethoxybenzothiazole, 2,2-benzothiazolamine, 6-ethoxy-9ci |
| IUPAC Name | 6-ethoxy-1,3-benzothiazol-2-amine |
| InChI Key | KOYJWFGMEBETBU-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2OS |
Tetradecanophenone 98.0+%, TCI America™
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CAS: 4497-05-6 Molecular Formula: C20H32O Molecular Weight (g/mol): 288.48 MDL Number: MFCD00008985 InChI Key: LXUIUVLDNRQBQJ-UHFFFAOYSA-N Synonym: Myristophenone, Phenyl Tridecyl Ketone PubChem CID: 78248 IUPAC Name: 1-phenyltetradecan-1-one SMILES: CCCCCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 78248 |
|---|---|
| CAS | 4497-05-6 |
| Molecular Weight (g/mol) | 288.48 |
| MDL Number | MFCD00008985 |
| SMILES | CCCCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | Myristophenone, Phenyl Tridecyl Ketone |
| IUPAC Name | 1-phenyltetradecan-1-one |
| InChI Key | LXUIUVLDNRQBQJ-UHFFFAOYSA-N |
| Molecular Formula | C20H32O |
3-Chloro-1-phenyl-1-propanol 98.0+%, TCI America™
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CAS: 18776-12-0 Molecular Formula: C9H11ClO Molecular Weight (g/mol): 170.636 MDL Number: MFCD09878800 InChI Key: JZFUHAGLMZWKTF-UHFFFAOYSA-N Synonym: alpha-(2-Chloroethyl)benzyl Alcohol PubChem CID: 572064 IUPAC Name: 3-chloro-1-phenylpropan-1-ol SMILES: C1=CC=C(C=C1)C(CCCl)O
| PubChem CID | 572064 |
|---|---|
| CAS | 18776-12-0 |
| Molecular Weight (g/mol) | 170.636 |
| MDL Number | MFCD09878800 |
| SMILES | C1=CC=C(C=C1)C(CCCl)O |
| Synonym | alpha-(2-Chloroethyl)benzyl Alcohol |
| IUPAC Name | 3-chloro-1-phenylpropan-1-ol |
| InChI Key | JZFUHAGLMZWKTF-UHFFFAOYSA-N |
| Molecular Formula | C9H11ClO |