Organooxygen compounds
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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 |
Monomyristin 97.0+%, TCI America™
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CAS: 589-68-4 Molecular Formula: C17H34O4 Molecular Weight (g/mol): 302.455 MDL Number: MFCD00046760 InChI Key: DCBSHORRWZKAKO-UHFFFAOYSA-N Synonym: Glycerol alpha-Monomyristate, 1-Monomyristoyl Glycerol PubChem CID: 79050 ChEBI: CHEBI:75562 IUPAC Name: 2,3-dihydroxypropyl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OCC(CO)O
| PubChem CID | 79050 |
|---|---|
| CAS | 589-68-4 |
| Molecular Weight (g/mol) | 302.455 |
| ChEBI | CHEBI:75562 |
| MDL Number | MFCD00046760 |
| SMILES | CCCCCCCCCCCCCC(=O)OCC(CO)O |
| Synonym | Glycerol alpha-Monomyristate, 1-Monomyristoyl Glycerol |
| IUPAC Name | 2,3-dihydroxypropyl tetradecanoate |
| InChI Key | DCBSHORRWZKAKO-UHFFFAOYSA-N |
| Molecular Formula | C17H34O4 |
1,3-Adamantanediol 98.0+%, TCI America™
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CAS: 5001-18-3 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.236 MDL Number: MFCD00154013 InChI Key: MOLCWHCSXCKHAP-UHFFFAOYSA-N Synonym: 1,3-Dihydroxyadamantane PubChem CID: 573829 IUPAC Name: adamantane-1,3-diol SMILES: C1C2CC3(CC1CC(C2)(C3)O)O
| PubChem CID | 573829 |
|---|---|
| CAS | 5001-18-3 |
| Molecular Weight (g/mol) | 168.236 |
| MDL Number | MFCD00154013 |
| SMILES | C1C2CC3(CC1CC(C2)(C3)O)O |
| Synonym | 1,3-Dihydroxyadamantane |
| IUPAC Name | adamantane-1,3-diol |
| InChI Key | MOLCWHCSXCKHAP-UHFFFAOYSA-N |
| Molecular Formula | C10H16O2 |
Ethyl 3-(4-Cyanophenyl)-3-oxopropionate 98.0+%, TCI America™
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CAS: 49744-93-6 Molecular Formula: C12H11NO3 Molecular Weight (g/mol): 217.224 MDL Number: MFCD00029621 InChI Key: ITKQVWKZLCNILF-UHFFFAOYSA-N Synonym: 3-(4-Cyanophenyl)-3-oxopropionic Acid Ethyl Ester PubChem CID: 2757969 IUPAC Name: ethyl 3-(4-cyanophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)C#N
| PubChem CID | 2757969 |
|---|---|
| CAS | 49744-93-6 |
| Molecular Weight (g/mol) | 217.224 |
| MDL Number | MFCD00029621 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)C#N |
| Synonym | 3-(4-Cyanophenyl)-3-oxopropionic Acid Ethyl Ester |
| IUPAC Name | ethyl 3-(4-cyanophenyl)-3-oxopropanoate |
| InChI Key | ITKQVWKZLCNILF-UHFFFAOYSA-N |
| Molecular Formula | C12H11NO3 |
3'-Dimethylaminoacetophenone 98.0+%, TCI America™
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CAS: 18992-80-8 Molecular Formula: C10H13NO Molecular Weight (g/mol): 163.22 MDL Number: MFCD00059343 InChI Key: KYEMJVGXLJXCSM-UHFFFAOYSA-N PubChem CID: 519620 IUPAC Name: 1-[3-(dimethylamino)phenyl]ethanone SMILES: CC(=O)C1=CC(=CC=C1)N(C)C
| PubChem CID | 519620 |
|---|---|
| CAS | 18992-80-8 |
| Molecular Weight (g/mol) | 163.22 |
| MDL Number | MFCD00059343 |
| SMILES | CC(=O)C1=CC(=CC=C1)N(C)C |
| IUPAC Name | 1-[3-(dimethylamino)phenyl]ethanone |
| InChI Key | KYEMJVGXLJXCSM-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO |
2-Amino-1-methoxybutane 90.0+%, TCI America™
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CAS: 63448-63-5 Molecular Formula: C5H13NO Molecular Weight (g/mol): 103.165 MDL Number: MFCD00047920 InChI Key: QAFODUGVXFNLBE-UHFFFAOYSA-N Synonym: 1-Methoxy-sec-butylamine PubChem CID: 93837 IUPAC Name: 1-methoxybutan-2-amine SMILES: CCC(COC)N
| PubChem CID | 93837 |
|---|---|
| CAS | 63448-63-5 |
| Molecular Weight (g/mol) | 103.165 |
| MDL Number | MFCD00047920 |
| SMILES | CCC(COC)N |
| Synonym | 1-Methoxy-sec-butylamine |
| IUPAC Name | 1-methoxybutan-2-amine |
| InChI Key | QAFODUGVXFNLBE-UHFFFAOYSA-N |
| Molecular Formula | C5H13NO |
trans-4-(Hydroxymethyl)cyclohexanecarboxylic Acid 98.0+%, TCI America™
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CAS: 66185-74-8 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD10566907,MFCD01734677,MFCD10566906 InChI Key: VQMIUUBKKPIDBN-UHFFFAOYSA-N PubChem CID: 202819 IUPAC Name: 4-(hydroxymethyl)cyclohexane-1-carboxylic acid SMILES: OCC1CCC(CC1)C(O)=O
| PubChem CID | 202819 |
|---|---|
| CAS | 66185-74-8 |
| Molecular Weight (g/mol) | 158.20 |
| MDL Number | MFCD10566907,MFCD01734677,MFCD10566906 |
| SMILES | OCC1CCC(CC1)C(O)=O |
| IUPAC Name | 4-(hydroxymethyl)cyclohexane-1-carboxylic acid |
| InChI Key | VQMIUUBKKPIDBN-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
2-(2,2-Diethoxyethyl)-1,3-propanediol 95.0+%, TCI America™
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CAS: 55387-85-4 Molecular Formula: C9H20O4 Molecular Weight (g/mol): 192.255 MDL Number: MFCD00671524 InChI Key: HKZYWLNVGYRMDG-UHFFFAOYSA-N Synonym: 3,3-Bis(hydroxymethyl)propionaldehyde Diethyl Acetal, 3,3-Diethoxy-1,1-bis(hydroxymethyl)propane, 4,4-Diethoxy-2-hydroxymethylbutanol PubChem CID: 12200648 IUPAC Name: 2-(2,2-diethoxyethyl)propane-1,3-diol SMILES: CCOC(CC(CO)CO)OCC
| PubChem CID | 12200648 |
|---|---|
| CAS | 55387-85-4 |
| Molecular Weight (g/mol) | 192.255 |
| MDL Number | MFCD00671524 |
| SMILES | CCOC(CC(CO)CO)OCC |
| Synonym | 3,3-Bis(hydroxymethyl)propionaldehyde Diethyl Acetal, 3,3-Diethoxy-1,1-bis(hydroxymethyl)propane, 4,4-Diethoxy-2-hydroxymethylbutanol |
| IUPAC Name | 2-(2,2-diethoxyethyl)propane-1,3-diol |
| InChI Key | HKZYWLNVGYRMDG-UHFFFAOYSA-N |
| Molecular Formula | C9H20O4 |
3',4'-Dichloropropiophenone 98.0+%, TCI America™
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CAS: 6582-42-9 Molecular Formula: C9H8Cl2O Molecular Weight (g/mol): 203.06 MDL Number: MFCD00000554 InChI Key: AJUAASWQUWIMHM-UHFFFAOYSA-N Synonym: 3',4'-dichloropropiophenone,1-3,4-dichlorophenyl propan-1-one,1-3,4-dichlorophenyl-1-propanone,1-propanone, 1-3,4-dichlorophenyl,1-propanone,1-3,4-dichlorophenyl,enamine_003892,acmc-1b5az,3,4-dichloro propiophenone,1-3,4-dichlorophenyl-1-propanone # PubChem CID: 599598 IUPAC Name: 1-(3,4-dichlorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 599598 |
|---|---|
| CAS | 6582-42-9 |
| Molecular Weight (g/mol) | 203.06 |
| MDL Number | MFCD00000554 |
| SMILES | CC(=O)CC1=CC=C(Cl)C(Cl)=C1 |
| Synonym | 3',4'-dichloropropiophenone,1-3,4-dichlorophenyl propan-1-one,1-3,4-dichlorophenyl-1-propanone,1-propanone, 1-3,4-dichlorophenyl,1-propanone,1-3,4-dichlorophenyl,enamine_003892,acmc-1b5az,3,4-dichloro propiophenone,1-3,4-dichlorophenyl-1-propanone # |
| IUPAC Name | 1-(3,4-dichlorophenyl)propan-2-one |
| InChI Key | AJUAASWQUWIMHM-UHFFFAOYSA-N |
| Molecular Formula | C9H8Cl2O |
2-Ethoxyethyl Acetate 98.0+%, TCI America™
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CAS: 111-15-9 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00009251 InChI Key: SVONRAPFKPVNKG-UHFFFAOYSA-N Synonym: ethylene glycol monoethyl ether acetate,cellosolve acetate,oxitol acetate,ethoxyethyl acetate,oxytol acetate,ethylglycol acetate,ethyl cellosolve acetate,1-acetoxy-2-ethoxyethane,ethylglykolacetat,octan etoksyetylu PubChem CID: 8095 IUPAC Name: 2-ethoxyethyl acetate SMILES: CCOCCOC(C)=O
| PubChem CID | 8095 |
|---|---|
| CAS | 111-15-9 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00009251 |
| SMILES | CCOCCOC(C)=O |
| Synonym | ethylene glycol monoethyl ether acetate,cellosolve acetate,oxitol acetate,ethoxyethyl acetate,oxytol acetate,ethylglycol acetate,ethyl cellosolve acetate,1-acetoxy-2-ethoxyethane,ethylglykolacetat,octan etoksyetylu |
| IUPAC Name | 2-ethoxyethyl acetate |
| InChI Key | SVONRAPFKPVNKG-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
3'-(Trifluoromethoxy)acetophenone 97.0+%, TCI America™
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CAS: 170141-63-6 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD00042403 InChI Key: UYHTUQHYGKAYJM-UHFFFAOYSA-N Synonym: 3'-trifluoromethoxy acetophenone,1-3-trifluoromethoxy phenyl ethanone,3-trifluoromethoxy acetophenone,1-3-trifluoromethoxy phenyl ethan-1-one,3-trifluoromethoxyacetophenone,1-acetyl-3-trifluoromethoxy benzene,fxffor cv1,pubchem4297,intermediates-zcf02268 PubChem CID: 737161 IUPAC Name: 1-[3-(trifluoromethoxy)phenyl]ethan-1-one SMILES: CC(=O)C1=CC=CC(OC(F)(F)F)=C1
| PubChem CID | 737161 |
|---|---|
| CAS | 170141-63-6 |
| Molecular Weight (g/mol) | 204.15 |
| MDL Number | MFCD00042403 |
| SMILES | CC(=O)C1=CC=CC(OC(F)(F)F)=C1 |
| Synonym | 3'-trifluoromethoxy acetophenone,1-3-trifluoromethoxy phenyl ethanone,3-trifluoromethoxy acetophenone,1-3-trifluoromethoxy phenyl ethan-1-one,3-trifluoromethoxyacetophenone,1-acetyl-3-trifluoromethoxy benzene,fxffor cv1,pubchem4297,intermediates-zcf02268 |
| IUPAC Name | 1-[3-(trifluoromethoxy)phenyl]ethan-1-one |
| InChI Key | UYHTUQHYGKAYJM-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
4-Methyl-4-heptanol 98.0+%, TCI America™
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CAS: 598-01-6 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.231 MDL Number: MFCD00021840 InChI Key: IQXKGRKRIRMQCQ-UHFFFAOYSA-N PubChem CID: 136394 IUPAC Name: 4-methylheptan-4-ol SMILES: CCCC(C)(CCC)O
| PubChem CID | 136394 |
|---|---|
| CAS | 598-01-6 |
| Molecular Weight (g/mol) | 130.231 |
| MDL Number | MFCD00021840 |
| SMILES | CCCC(C)(CCC)O |
| IUPAC Name | 4-methylheptan-4-ol |
| InChI Key | IQXKGRKRIRMQCQ-UHFFFAOYSA-N |
| Molecular Formula | C8H18O |
2-Furoyltrifluoroacetone, TCI America™
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CAS: 326-90-9 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD00020935 InChI Key: OWLPCALGCHDBCN-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-1-furan-2-yl butane-1,3-dione,2-furoyltrifluoroacetone,furoyltrifluoroacetone,4,4,4-trifluoro-1-2-furyl-1,3-butanedione,perfluoroacetyl 2-furoyl methane,furonyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-furanyl,4,4,4-trifluoro-1-2-furyl butane-1,3-dione,2-furoyl trifluoro acetone,4,4,4-trifluoro-1-2-furanyl-1,3-butanedione PubChem CID: 67594 IUPAC Name: 4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CO1
| PubChem CID | 67594 |
|---|---|
| CAS | 326-90-9 |
| Molecular Weight (g/mol) | 206.12 |
| MDL Number | MFCD00020935 |
| SMILES | FC(F)(F)C(=O)CC(=O)C1=CC=CO1 |
| Synonym | 4,4,4-trifluoro-1-furan-2-yl butane-1,3-dione,2-furoyltrifluoroacetone,furoyltrifluoroacetone,4,4,4-trifluoro-1-2-furyl-1,3-butanedione,perfluoroacetyl 2-furoyl methane,furonyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-furanyl,4,4,4-trifluoro-1-2-furyl butane-1,3-dione,2-furoyl trifluoro acetone,4,4,4-trifluoro-1-2-furanyl-1,3-butanedione |
| IUPAC Name | 4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione |
| InChI Key | OWLPCALGCHDBCN-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O3 |
sec-Butyl Methyl Ether 98.0+%, TCI America™
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CAS: 6795-87-5 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00190205 InChI Key: FVNIMHIOIXPIQT-UHFFFAOYNA-N Synonym: sec-butyl methyl ether,butane, 2-methoxy,methyl sec-butyl ether,ether, sec-butyl methyl,2-butyl methyl ether,methyl 1-methylpropyl ether,s-butyl methyl ether,butane, 2-methoxy-9ci,butane,2-methoxy,acmc-1b64a PubChem CID: 23238 IUPAC Name: 2-methoxybutane SMILES: CCC(C)OC
| PubChem CID | 23238 |
|---|---|
| CAS | 6795-87-5 |
| Molecular Weight (g/mol) | 88.15 |
| MDL Number | MFCD00190205 |
| SMILES | CCC(C)OC |
| Synonym | sec-butyl methyl ether,butane, 2-methoxy,methyl sec-butyl ether,ether, sec-butyl methyl,2-butyl methyl ether,methyl 1-methylpropyl ether,s-butyl methyl ether,butane, 2-methoxy-9ci,butane,2-methoxy,acmc-1b64a |
| IUPAC Name | 2-methoxybutane |
| InChI Key | FVNIMHIOIXPIQT-UHFFFAOYNA-N |
| Molecular Formula | C5H12O |
2-Phenylsulfonylacetophenone 98.0+%, TCI America™
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CAS: 3406-03-9 Molecular Formula: C14H12O3S Molecular Weight (g/mol): 260.31 MDL Number: MFCD00025043 InChI Key: DREVPGKOIZVPQV-UHFFFAOYSA-N Synonym: 2-phenylsulfonyl acetophenone,2-phenylsulfonylacetophenone,1-phenyl-2-phenylsulfonyl ethanone,acetophenone, 2-phenylsulfonyl,2-benzenesulfonyl-1-phenylethanone,ethanone, 1-phenyl-2-phenylsulfonyl,1-phenyl-2-phenylsulphonyl ethan-1-one,alpha-phenylsulfonylacetophenone,2-benzenesulfonyl-1-phenylethan-1-one,1-phenyl-2-phenylsulfonyl ethan-1-one PubChem CID: 76949 IUPAC Name: 2-(benzenesulfonyl)-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2
| PubChem CID | 76949 |
|---|---|
| CAS | 3406-03-9 |
| Molecular Weight (g/mol) | 260.31 |
| MDL Number | MFCD00025043 |
| SMILES | C1=CC=C(C=C1)C(=O)CS(=O)(=O)C2=CC=CC=C2 |
| Synonym | 2-phenylsulfonyl acetophenone,2-phenylsulfonylacetophenone,1-phenyl-2-phenylsulfonyl ethanone,acetophenone, 2-phenylsulfonyl,2-benzenesulfonyl-1-phenylethanone,ethanone, 1-phenyl-2-phenylsulfonyl,1-phenyl-2-phenylsulphonyl ethan-1-one,alpha-phenylsulfonylacetophenone,2-benzenesulfonyl-1-phenylethan-1-one,1-phenyl-2-phenylsulfonyl ethan-1-one |
| IUPAC Name | 2-(benzenesulfonyl)-1-phenylethanone |
| InChI Key | DREVPGKOIZVPQV-UHFFFAOYSA-N |
| Molecular Formula | C14H12O3S |