
Organooxygen compounds
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3-Methyl-3-heptanol, TCI America™
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CAS: 5582-82-1 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.231 MDL Number: MFCD00021841 InChI Key: PQOSNJHBSNZITJ-UHFFFAOYSA-N Synonym: 3-methyl-3-heptanol,3-heptanol, 3-methyl,2-ethyl-2-hexanol,butylethylmethylcarbinol,3-heptanol, 3-methyl-8ci 9ci,acmc-209lpn PubChem CID: 11710 IUPAC Name: 3-methylheptan-3-ol SMILES: CCCCC(C)(CC)O
PubChem CID | 11710 |
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CAS | 5582-82-1 |
Molecular Weight (g/mol) | 130.231 |
MDL Number | MFCD00021841 |
SMILES | CCCCC(C)(CC)O |
Synonym | 3-methyl-3-heptanol,3-heptanol, 3-methyl,2-ethyl-2-hexanol,butylethylmethylcarbinol,3-heptanol, 3-methyl-8ci 9ci,acmc-209lpn |
IUPAC Name | 3-methylheptan-3-ol |
InChI Key | PQOSNJHBSNZITJ-UHFFFAOYSA-N |
Molecular Formula | C8H18O |
4'-Cyanoacetophenone 97.0+%, TCI America™
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CAS: 1443-80-7 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00001825 InChI Key: NLPHXWGWBKZSJC-UHFFFAOYSA-N Synonym: 4'-cyanoacetophenone,benzonitrile, 4-acetyl,p-cyanoacetophenone,4-cyanoacetophenone,p-acetylbenzonitrile,4-acetyl-benzonitrile,benzonitrile, p-acetyl,4-acetylbenzenecarbonitrile,4-acetylbenznitrile PubChem CID: 74044 IUPAC Name: 4-acetylbenzonitrile SMILES: CC(=O)C1=CC=C(C=C1)C#N
PubChem CID | 74044 |
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CAS | 1443-80-7 |
Molecular Weight (g/mol) | 145.161 |
MDL Number | MFCD00001825 |
SMILES | CC(=O)C1=CC=C(C=C1)C#N |
Synonym | 4'-cyanoacetophenone,benzonitrile, 4-acetyl,p-cyanoacetophenone,4-cyanoacetophenone,p-acetylbenzonitrile,4-acetyl-benzonitrile,benzonitrile, p-acetyl,4-acetylbenzenecarbonitrile,4-acetylbenznitrile |
IUPAC Name | 4-acetylbenzonitrile |
InChI Key | NLPHXWGWBKZSJC-UHFFFAOYSA-N |
Molecular Formula | C9H7NO |
4-Chlorophenyl Cyclopropyl Ketone 96.0+%, TCI America™
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CAS: 6640-25-1 Molecular Formula: C10H9ClO Molecular Weight (g/mol): 180.631 MDL Number: MFCD00001295 InChI Key: OPSFCTBBDIDFJM-UHFFFAOYSA-N Synonym: 4-chlorophenyl cyclopropyl ketone,4-chlorophenyl cyclopropyl methanone,4-chlorobenzoyl cyclopropane,4-chlorobenzoylcyclopropane,methanone, 4-chlorophenyl cyclopropyl,4-chlorophenylcyclopropylmethanone,pubchem16774,acmc-209nvc,cyclopropyl 4-chlorophenyl ketone PubChem CID: 81148 IUPAC Name: (4-chlorophenyl)-cyclopropylmethanone SMILES: C1CC1C(=O)C2=CC=C(C=C2)Cl
PubChem CID | 81148 |
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CAS | 6640-25-1 |
Molecular Weight (g/mol) | 180.631 |
MDL Number | MFCD00001295 |
SMILES | C1CC1C(=O)C2=CC=C(C=C2)Cl |
Synonym | 4-chlorophenyl cyclopropyl ketone,4-chlorophenyl cyclopropyl methanone,4-chlorobenzoyl cyclopropane,4-chlorobenzoylcyclopropane,methanone, 4-chlorophenyl cyclopropyl,4-chlorophenylcyclopropylmethanone,pubchem16774,acmc-209nvc,cyclopropyl 4-chlorophenyl ketone |
IUPAC Name | (4-chlorophenyl)-cyclopropylmethanone |
InChI Key | OPSFCTBBDIDFJM-UHFFFAOYSA-N |
Molecular Formula | C10H9ClO |
Methyl 4-Acetylbenzoate 98.0+%, TCI America™
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CAS: 3609-53-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00216474 InChI Key: QNTSFZXGLAHYLC-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b PubChem CID: 137990 IUPAC Name: methyl 4-acetylbenzoate SMILES: CC(=O)C1=CC=C(C=C1)C(=O)OC
PubChem CID | 137990 |
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CAS | 3609-53-8 |
Molecular Weight (g/mol) | 178.187 |
MDL Number | MFCD00216474 |
SMILES | CC(=O)C1=CC=C(C=C1)C(=O)OC |
Synonym | benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b |
IUPAC Name | methyl 4-acetylbenzoate |
InChI Key | QNTSFZXGLAHYLC-UHFFFAOYSA-N |
Molecular Formula | C10H10O3 |
4'-Acetoxyacetophenone 98.0+%, TCI America™
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CAS: 13031-43-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017229 InChI Key: SMIOEQSLJNNKQF-UHFFFAOYSA-N Synonym: 4'-acetoxyacetophenone,p-acetoxyacetophenone,4-acetoxyacetophenone,p-acetylphenyl acetate,4-acetylphenyl acetate,unii-eo1xk390jf,ethanone, 1-4-acetyloxy phenyl,4-acetoxy acetophenone,4-acetoxy-acetophenone,eo1xk390jf PubChem CID: 83063 ChEBI: CHEBI:86558 IUPAC Name: 4-acetylphenyl acetate SMILES: CC(=O)OC1=CC=C(C=C1)C(C)=O
PubChem CID | 83063 |
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CAS | 13031-43-1 |
Molecular Weight (g/mol) | 178.19 |
ChEBI | CHEBI:86558 |
MDL Number | MFCD00017229 |
SMILES | CC(=O)OC1=CC=C(C=C1)C(C)=O |
Synonym | 4'-acetoxyacetophenone,p-acetoxyacetophenone,4-acetoxyacetophenone,p-acetylphenyl acetate,4-acetylphenyl acetate,unii-eo1xk390jf,ethanone, 1-4-acetyloxy phenyl,4-acetoxy acetophenone,4-acetoxy-acetophenone,eo1xk390jf |
IUPAC Name | 4-acetylphenyl acetate |
InChI Key | SMIOEQSLJNNKQF-UHFFFAOYSA-N |
Molecular Formula | C10H10O3 |
1-Pentanol 99.0+%, TCI America™
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CAS: 71-41-0 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002977,MFCD00081734,MFCD01075169 InChI Key: AMQJEAYHLZJPGS-UHFFFAOYSA-N Synonym: 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol PubChem CID: 6276 ChEBI: CHEBI:44884 IUPAC Name: pentan-1-ol SMILES: CCCCCO
PubChem CID | 6276 |
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CAS | 71-41-0 |
Molecular Weight (g/mol) | 88.15 |
ChEBI | CHEBI:44884 |
MDL Number | MFCD00002977,MFCD00081734,MFCD01075169 |
SMILES | CCCCCO |
Synonym | 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol |
IUPAC Name | pentan-1-ol |
InChI Key | AMQJEAYHLZJPGS-UHFFFAOYSA-N |
Molecular Formula | C5H12O |
4-Methylcyclohexanol (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 589-91-3 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.19 MDL Number: MFCD00001449,MFCD00064171,MFCD00064170 InChI Key: MQWCXKGKQLNYQG-UHFFFAOYSA-N Synonym: 4-methylcyclohexanol,trans-4-methylcyclohexanol,cis-4-methylcyclohexanol,cyclohexanol, 4-methyl,1-methyl-4-cyclohexanol,cyclohexanol, 4-methyl-, trans,methyl cyclohexanol,p-methylcyclohexanol,cyclohexanol, 4-methyl-, cis,trans 4-methyl cyclohexanol PubChem CID: 11524 IUPAC Name: 4-methylcyclohexan-1-ol SMILES: CC1CCC(O)CC1
PubChem CID | 11524 |
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CAS | 589-91-3 |
Molecular Weight (g/mol) | 114.19 |
MDL Number | MFCD00001449,MFCD00064171,MFCD00064170 |
SMILES | CC1CCC(O)CC1 |
Synonym | 4-methylcyclohexanol,trans-4-methylcyclohexanol,cis-4-methylcyclohexanol,cyclohexanol, 4-methyl,1-methyl-4-cyclohexanol,cyclohexanol, 4-methyl-, trans,methyl cyclohexanol,p-methylcyclohexanol,cyclohexanol, 4-methyl-, cis,trans 4-methyl cyclohexanol |
IUPAC Name | 4-methylcyclohexan-1-ol |
InChI Key | MQWCXKGKQLNYQG-UHFFFAOYSA-N |
Molecular Formula | C7H14O |
D-Tagatose 98.0+%, TCI America™
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CAS: 87-81-0 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00134449 InChI Key: BJHIKXHVCXFQLS-PQLUHFTBSA-N Synonym: 3s,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,lyxo-2-hexulose,tagatose, d,d--tagatose,keto-d-tagatose,tagatose nf,unii-t7a20y888y,d-lyxo-hex-2-ulose,naturlose PubChem CID: 92092 ChEBI: CHEBI:47693 IUPAC Name: (3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
PubChem CID | 92092 |
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CAS | 87-81-0 |
Molecular Weight (g/mol) | 180.156 |
ChEBI | CHEBI:47693 |
MDL Number | MFCD00134449 |
SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
Synonym | 3s,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,lyxo-2-hexulose,tagatose, d,d--tagatose,keto-d-tagatose,tagatose nf,unii-t7a20y888y,d-lyxo-hex-2-ulose,naturlose |
IUPAC Name | (3S,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
InChI Key | BJHIKXHVCXFQLS-PQLUHFTBSA-N |
Molecular Formula | C6H12O6 |
Chloramphenicol 98.0+%, TCI America™
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CAS: 56-75-7 Molecular Formula: C11H12Cl2N2O5 Molecular Weight (g/mol): 323.126 MDL Number: MFCD00078159 InChI Key: WIIZWVCIJKGZOK-RKDXNWHRSA-N Synonym: chloramphenicol,chlornitromycin,chloromycetin,levomycetin,chlorocid,halomycetin,levomicetina,alficetyn,fenicol,globenicol PubChem CID: 5959 ChEBI: CHEBI:17698 IUPAC Name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide SMILES: C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
PubChem CID | 5959 |
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CAS | 56-75-7 |
Molecular Weight (g/mol) | 323.126 |
ChEBI | CHEBI:17698 |
MDL Number | MFCD00078159 |
SMILES | C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] |
Synonym | chloramphenicol,chlornitromycin,chloromycetin,levomycetin,chlorocid,halomycetin,levomicetina,alficetyn,fenicol,globenicol |
IUPAC Name | 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide |
InChI Key | WIIZWVCIJKGZOK-RKDXNWHRSA-N |
Molecular Formula | C11H12Cl2N2O5 |
Nonanal 95.0+%, TCI America™
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CAS: 124-19-6 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.242 MDL Number: MFCD00007030 InChI Key: GYHFUZHODSMOHU-UHFFFAOYSA-N Synonym: pelargonaldehyde,1-nonanal,nonanaldehyde,nonyl aldehyde,n-nonaldehyde,nonylic aldehyde,nonylaldehyde,nonaldehyde,n-nonanal,1-nonaldehyde PubChem CID: 31289 ChEBI: CHEBI:84268 IUPAC Name: nonanal SMILES: CCCCCCCCC=O
PubChem CID | 31289 |
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CAS | 124-19-6 |
Molecular Weight (g/mol) | 142.242 |
ChEBI | CHEBI:84268 |
MDL Number | MFCD00007030 |
SMILES | CCCCCCCCC=O |
Synonym | pelargonaldehyde,1-nonanal,nonanaldehyde,nonyl aldehyde,n-nonaldehyde,nonylic aldehyde,nonylaldehyde,nonaldehyde,n-nonanal,1-nonaldehyde |
IUPAC Name | nonanal |
InChI Key | GYHFUZHODSMOHU-UHFFFAOYSA-N |
Molecular Formula | C9H18O |
3,6-Dimethyl-4-octyne-3,6-diol 98.0+%, TCI America™
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CAS: 78-66-0 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00004480 InChI Key: NUYADIDKTLPDGG-UHFFFAOYSA-N Synonym: 3,6-Dihydroxy-3,6-dimethyl-4-octyne PubChem CID: 6546 IUPAC Name: 3,6-dimethyloct-4-yne-3,6-diol SMILES: CCC(C)(C#CC(C)(CC)O)O
PubChem CID | 6546 |
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CAS | 78-66-0 |
Molecular Weight (g/mol) | 170.252 |
MDL Number | MFCD00004480 |
SMILES | CCC(C)(C#CC(C)(CC)O)O |
Synonym | 3,6-Dihydroxy-3,6-dimethyl-4-octyne |
IUPAC Name | 3,6-dimethyloct-4-yne-3,6-diol |
InChI Key | NUYADIDKTLPDGG-UHFFFAOYSA-N |
Molecular Formula | C10H18O2 |
1,2-Bis(2-aminoethoxy)ethane 98.0+%, TCI America™
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CAS: 929-59-9 Molecular Formula: C6H16N2O2 Molecular Weight (g/mol): 148.206 MDL Number: MFCD00040474 InChI Key: IWBOPFCKHIJFMS-UHFFFAOYSA-N Synonym: 1,8-diamino-3,6-dioxaoctane,1,2-bis 2-aminoethoxy ethane,2,2'-ethylenedioxy bis ethylamine,unii-r41zt4uf34,2,2'-ethane-1,2-diylbis oxy diethanamine,3,6-dioxaoctamethylenediamine,2-2-2-aminoethoxy ethoxy ethanamine,3,6-dioxaoctane-1,8-diamine,ethylene glycol bis 2-aminoethyl ether PubChem CID: 70248 IUPAC Name: 2-[2-(2-aminoethoxy)ethoxy]ethanamine SMILES: C(COCCOCCN)N
PubChem CID | 70248 |
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CAS | 929-59-9 |
Molecular Weight (g/mol) | 148.206 |
MDL Number | MFCD00040474 |
SMILES | C(COCCOCCN)N |
Synonym | 1,8-diamino-3,6-dioxaoctane,1,2-bis 2-aminoethoxy ethane,2,2'-ethylenedioxy bis ethylamine,unii-r41zt4uf34,2,2'-ethane-1,2-diylbis oxy diethanamine,3,6-dioxaoctamethylenediamine,2-2-2-aminoethoxy ethoxy ethanamine,3,6-dioxaoctane-1,8-diamine,ethylene glycol bis 2-aminoethyl ether |
IUPAC Name | 2-[2-(2-aminoethoxy)ethoxy]ethanamine |
InChI Key | IWBOPFCKHIJFMS-UHFFFAOYSA-N |
Molecular Formula | C6H16N2O2 |
Salicylaldehyde 98.0+%, TCI America™
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CAS: 90-02-8 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 MDL Number: MFCD00003317 InChI Key: SMQUZDBALVYZAC-UHFFFAOYSA-N Synonym: salicylaldehyde,o-hydroxybenzaldehyde,o-formylphenol,salicylal,2-formylphenol,benzaldehyde, 2-hydroxy,salicylic aldehyde,salicyladehyde,2-hydroxy-benzaldehyde,benzaldehyde, o-hydroxy PubChem CID: 6998 ChEBI: CHEBI:16008 IUPAC Name: 2-hydroxybenzaldehyde SMILES: OC1=CC=CC=C1C=O
PubChem CID | 6998 |
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CAS | 90-02-8 |
Molecular Weight (g/mol) | 122.12 |
ChEBI | CHEBI:16008 |
MDL Number | MFCD00003317 |
SMILES | OC1=CC=CC=C1C=O |
Synonym | salicylaldehyde,o-hydroxybenzaldehyde,o-formylphenol,salicylal,2-formylphenol,benzaldehyde, 2-hydroxy,salicylic aldehyde,salicyladehyde,2-hydroxy-benzaldehyde,benzaldehyde, o-hydroxy |
IUPAC Name | 2-hydroxybenzaldehyde |
InChI Key | SMQUZDBALVYZAC-UHFFFAOYSA-N |
Molecular Formula | C7H6O2 |
2,2-Bis(allyloxymethyl)-1-butanol (contains Mono- and Tri-substituted Product) 85.0+%, TCI America™
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CAS: 682-09-7 Molecular Formula: C12H22O3 Molecular Weight (g/mol): 214.305 MDL Number: MFCD00035791 InChI Key: BDKDHWOPFRTWPP-UHFFFAOYSA-N Synonym: Trimethylolpropane Diallyl Ether PubChem CID: 61196 IUPAC Name: 2,2-bis(prop-2-enoxymethyl)butan-1-ol SMILES: CCC(CO)(COCC=C)COCC=C
PubChem CID | 61196 |
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CAS | 682-09-7 |
Molecular Weight (g/mol) | 214.305 |
MDL Number | MFCD00035791 |
SMILES | CCC(CO)(COCC=C)COCC=C |
Synonym | Trimethylolpropane Diallyl Ether |
IUPAC Name | 2,2-bis(prop-2-enoxymethyl)butan-1-ol |
InChI Key | BDKDHWOPFRTWPP-UHFFFAOYSA-N |
Molecular Formula | C12H22O3 |
trans,trans-2,4-Heptadienal 90.0+%, TCI America™
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CAS: 4313-03-5 Molecular Formula: C7H10O Molecular Weight (g/mol): 110.16 MDL Number: MFCD00007005 InChI Key: SATICYYAWWYRAM-VNKDHWASSA-N PubChem CID: 5283321 IUPAC Name: (2E,4E)-hepta-2,4-dienal SMILES: CCC=CC=CC=O
PubChem CID | 5283321 |
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CAS | 4313-03-5 |
Molecular Weight (g/mol) | 110.16 |
MDL Number | MFCD00007005 |
SMILES | CCC=CC=CC=O |
IUPAC Name | (2E,4E)-hepta-2,4-dienal |
InChI Key | SATICYYAWWYRAM-VNKDHWASSA-N |
Molecular Formula | C7H10O |