Organooxygen compounds
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2-Methyl-2-propyl-1,3-propanediol 98.0+%, TCI America™
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CAS: 78-26-2 Molecular Formula: C7H16O2 Molecular Weight (g/mol): 132.20 MDL Number: MFCD00004696 InChI Key: JVZZUPJFERSVRN-UHFFFAOYSA-N Synonym: 2-methyl-2-propyl-1,3-propanediol,2,2-bis hydroxymethyl pentane,1,3-propanediol, 2-methyl-2-propyl,2-methyl-2-n-propyl-1,3-propanediol,unii-ylm5kru0p4,2,2-dimethylolpentane,ylm5kru0p4,2-methyl-2-propyl-propane-1,3-diol,carisoprodol impurity c,acmc-1basp PubChem CID: 66220 IUPAC Name: 2-methyl-2-propylpropane-1,3-diol SMILES: CCCC(C)(CO)CO
| PubChem CID | 66220 |
|---|---|
| CAS | 78-26-2 |
| Molecular Weight (g/mol) | 132.20 |
| MDL Number | MFCD00004696 |
| SMILES | CCCC(C)(CO)CO |
| Synonym | 2-methyl-2-propyl-1,3-propanediol,2,2-bis hydroxymethyl pentane,1,3-propanediol, 2-methyl-2-propyl,2-methyl-2-n-propyl-1,3-propanediol,unii-ylm5kru0p4,2,2-dimethylolpentane,ylm5kru0p4,2-methyl-2-propyl-propane-1,3-diol,carisoprodol impurity c,acmc-1basp |
| IUPAC Name | 2-methyl-2-propylpropane-1,3-diol |
| InChI Key | JVZZUPJFERSVRN-UHFFFAOYSA-N |
| Molecular Formula | C7H16O2 |
trans-2-Tridecen-1-ol 90.0+%, TCI America™
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CAS: 68480-25-1 Molecular Formula: C13H26O Molecular Weight (g/mol): 198.35 MDL Number: MFCD00014048 InChI Key: VPYJHNADOJDSGU-VAWYXSNFSA-N PubChem CID: 5364949 IUPAC Name: (2E)-tridec-2-en-1-ol SMILES: CCCCCCCCCC\C=C\CO
| PubChem CID | 5364949 |
|---|---|
| CAS | 68480-25-1 |
| Molecular Weight (g/mol) | 198.35 |
| MDL Number | MFCD00014048 |
| SMILES | CCCCCCCCCC\C=C\CO |
| IUPAC Name | (2E)-tridec-2-en-1-ol |
| InChI Key | VPYJHNADOJDSGU-VAWYXSNFSA-N |
| Molecular Formula | C13H26O |
2'-Chloro-4'-nitroacetophenone 98.0+%, TCI America™
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CAS: 67818-41-1 Molecular Formula: C8H6ClNO3 Molecular Weight (g/mol): 199.59 MDL Number: MFCD00017340 InChI Key: BRFBJVQQCATLSZ-UHFFFAOYSA-N PubChem CID: 314302 IUPAC Name: 1-(2-chloro-4-nitrophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O
| PubChem CID | 314302 |
|---|---|
| CAS | 67818-41-1 |
| Molecular Weight (g/mol) | 199.59 |
| MDL Number | MFCD00017340 |
| SMILES | CC(=O)C1=CC=C(C=C1Cl)[N+]([O-])=O |
| IUPAC Name | 1-(2-chloro-4-nitrophenyl)ethan-1-one |
| InChI Key | BRFBJVQQCATLSZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO3 |
4'-Formylbenzo-18-crown 6-Ether 98.0+%, TCI America™
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CAS: 60835-74-7 Molecular Formula: C17H24O7 Molecular Weight (g/mol): 340.372 MDL Number: MFCD00388882 InChI Key: ALMXRNQJWRGNMG-UHFFFAOYSA-N Synonym: 2,3-(4-Formylbenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene PubChem CID: 12342344 IUPAC Name: 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carbaldehyde SMILES: C1COCCOCCOC2=C(C=CC(=C2)C=O)OCCOCCO1
| PubChem CID | 12342344 |
|---|---|
| CAS | 60835-74-7 |
| Molecular Weight (g/mol) | 340.372 |
| MDL Number | MFCD00388882 |
| SMILES | C1COCCOCCOC2=C(C=CC(=C2)C=O)OCCOCCO1 |
| Synonym | 2,3-(4-Formylbenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene |
| IUPAC Name | 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carbaldehyde |
| InChI Key | ALMXRNQJWRGNMG-UHFFFAOYSA-N |
| Molecular Formula | C17H24O7 |
(+/-)-alpha-Bisabolol 80.0+%, TCI America™
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CAS: 515-69-5 Molecular Formula: C15H26O Molecular Weight (g/mol): 222.372 MDL Number: MFCD00129082 InChI Key: RGZSQWQPBWRIAQ-LSDHHAIUSA-N Synonym: bisabolol,alpha-bisabolol,+-alpha-bisabolol,d-alpha-bisabolol,.alpha.-bisabolol,+-1'r,2r-alpha-bisabolol,2r-6-methyl-2-1r-4-methylcyclohex-3-en-1-yl hept-5-en-2-ol,3-cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-4-methyl-3-pentenyl-, r*,r*,dsstox_cid_25964,dsstox_rid_81260 PubChem CID: 1549992 IUPAC Name: (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol SMILES: CC1=CCC(CC1)C(C)(CCC=C(C)C)O
| PubChem CID | 1549992 |
|---|---|
| CAS | 515-69-5 |
| Molecular Weight (g/mol) | 222.372 |
| MDL Number | MFCD00129082 |
| SMILES | CC1=CCC(CC1)C(C)(CCC=C(C)C)O |
| Synonym | bisabolol,alpha-bisabolol,+-alpha-bisabolol,d-alpha-bisabolol,.alpha.-bisabolol,+-1'r,2r-alpha-bisabolol,2r-6-methyl-2-1r-4-methylcyclohex-3-en-1-yl hept-5-en-2-ol,3-cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-4-methyl-3-pentenyl-, r*,r*,dsstox_cid_25964,dsstox_rid_81260 |
| IUPAC Name | (2R)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol |
| InChI Key | RGZSQWQPBWRIAQ-LSDHHAIUSA-N |
| Molecular Formula | C15H26O |
Phthalic Acid Bis(2-butoxyethyl) Ester 85.0+%, TCI America™
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CAS: 117-83-9 Molecular Formula: C20H30O6 Molecular Weight (g/mol): 366.454 MDL Number: MFCD00048781 InChI Key: CMCJNODIWQEOAI-UHFFFAOYSA-N Synonym: Bis(2-butoxyethyl) Phthalate PubChem CID: 8345 ChEBI: CHEBI:79937 IUPAC Name: bis(2-butoxyethyl) benzene-1,2-dicarboxylate SMILES: CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC
| PubChem CID | 8345 |
|---|---|
| CAS | 117-83-9 |
| Molecular Weight (g/mol) | 366.454 |
| ChEBI | CHEBI:79937 |
| MDL Number | MFCD00048781 |
| SMILES | CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC |
| Synonym | Bis(2-butoxyethyl) Phthalate |
| IUPAC Name | bis(2-butoxyethyl) benzene-1,2-dicarboxylate |
| InChI Key | CMCJNODIWQEOAI-UHFFFAOYSA-N |
| Molecular Formula | C20H30O6 |
Isatin 98.0+%, TCI America™
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CAS: 91-56-5 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00005718 InChI Key: JXDYKVIHCLTXOP-UHFFFAOYSA-N Synonym: isatin,indoline-2,3-dione,2,3-indolinedione,indole-2,3-dione,isatine,2,3-dioxoindoline,pseudoisatin,tribulin,isotin,isatic acid lactam PubChem CID: 7054 ChEBI: CHEBI:27539 IUPAC Name: 1H-indole-2,3-dione SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2
| PubChem CID | 7054 |
|---|---|
| CAS | 91-56-5 |
| Molecular Weight (g/mol) | 147.133 |
| ChEBI | CHEBI:27539 |
| MDL Number | MFCD00005718 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=O)N2 |
| Synonym | isatin,indoline-2,3-dione,2,3-indolinedione,indole-2,3-dione,isatine,2,3-dioxoindoline,pseudoisatin,tribulin,isotin,isatic acid lactam |
| IUPAC Name | 1H-indole-2,3-dione |
| InChI Key | JXDYKVIHCLTXOP-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO2 |
5-Chloro-1,3-dimethylpyrazole-4-carboxaldehyde 98.0+%, TCI America™
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CAS: 27006-76-4 Molecular Formula: C6H7ClN2O Molecular Weight (g/mol): 158.585 MDL Number: MFCD00052538 InChI Key: SZRSMNYUEXXEBL-UHFFFAOYSA-N Synonym: 5-chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde,5-chloro-1,3-dimethyl-1h-pyrazole-4-carboxaldehyde,5-chloro-1,3-dimethyl pyrazole-4-aldehyde,5-chloro-1,3-dimethylpyrazole-4-carboxaldehyde,5-chloro-4-formyl-1,3-dimethylpyrazole,5-chloro-1,3-dimethyl-1h-pyrazole-4-aldehyde,1h-pyrazole-4-carboxaldehyde, 5-chloro-1,3-dimethyl,pubchem23629,acmc-20a2nm,ksc496s9t PubChem CID: 2777397 IUPAC Name: 5-chloro-1,3-dimethylpyrazole-4-carbaldehyde SMILES: CC1=NN(C(=C1C=O)Cl)C
| PubChem CID | 2777397 |
|---|---|
| CAS | 27006-76-4 |
| Molecular Weight (g/mol) | 158.585 |
| MDL Number | MFCD00052538 |
| SMILES | CC1=NN(C(=C1C=O)Cl)C |
| Synonym | 5-chloro-1,3-dimethyl-1h-pyrazole-4-carbaldehyde,5-chloro-1,3-dimethyl-1h-pyrazole-4-carboxaldehyde,5-chloro-1,3-dimethyl pyrazole-4-aldehyde,5-chloro-1,3-dimethylpyrazole-4-carboxaldehyde,5-chloro-4-formyl-1,3-dimethylpyrazole,5-chloro-1,3-dimethyl-1h-pyrazole-4-aldehyde,1h-pyrazole-4-carboxaldehyde, 5-chloro-1,3-dimethyl,pubchem23629,acmc-20a2nm,ksc496s9t |
| IUPAC Name | 5-chloro-1,3-dimethylpyrazole-4-carbaldehyde |
| InChI Key | SZRSMNYUEXXEBL-UHFFFAOYSA-N |
| Molecular Formula | C6H7ClN2O |
2-(Hydroxymethyl)-18-crown 6-Ether 93.0+%, TCI America™
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CAS: 70069-04-4 Molecular Formula: C13H26O7 Molecular Weight (g/mol): 294.34 MDL Number: MFCD00188046 InChI Key: HFRGASADQCZXHH-UHFFFAOYNA-N Synonym: 1,4,7,10,13,16-hexaoxacyclooctadecane-2-methanol,2-hydroxymethyl-18-crown-6,2-hydroxymethyl-18-crown 6-ether,1,4,7,10,13,16-hexaoxacyclooctadecan-2-ylmethanol,hydroxy-18-crown-6,18-crown-6-methanol,hydroxymethyl-18-crown-6,hfrgasadqczxhh-uhfffaoysa,2-hydroxymethyl-18-crown,2,5,8,11,14,17-hexaoxacyclooctadecyl methan-1-ol PubChem CID: 3611393 IUPAC Name: (1,4,7,10,13,16-hexaoxacyclooctadecan-2-yl)methanol SMILES: OCC1COCCOCCOCCOCCOCCO1
| PubChem CID | 3611393 |
|---|---|
| CAS | 70069-04-4 |
| Molecular Weight (g/mol) | 294.34 |
| MDL Number | MFCD00188046 |
| SMILES | OCC1COCCOCCOCCOCCOCCO1 |
| Synonym | 1,4,7,10,13,16-hexaoxacyclooctadecane-2-methanol,2-hydroxymethyl-18-crown-6,2-hydroxymethyl-18-crown 6-ether,1,4,7,10,13,16-hexaoxacyclooctadecan-2-ylmethanol,hydroxy-18-crown-6,18-crown-6-methanol,hydroxymethyl-18-crown-6,hfrgasadqczxhh-uhfffaoysa,2-hydroxymethyl-18-crown,2,5,8,11,14,17-hexaoxacyclooctadecyl methan-1-ol |
| IUPAC Name | (1,4,7,10,13,16-hexaoxacyclooctadecan-2-yl)methanol |
| InChI Key | HFRGASADQCZXHH-UHFFFAOYNA-N |
| Molecular Formula | C13H26O7 |
3'-Bromo-5'-chloro-2'-hydroxyacetophenone 97.0+%, TCI America™
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CAS: 59443-15-1 Molecular Formula: C8H6BrClO2 Molecular Weight (g/mol): 249.49 MDL Number: MFCD00857068 InChI Key: FFAVKFQPEOGJOA-UHFFFAOYSA-N Synonym: 2-Acetyl-6-bromo-4-chlorophenol PubChem CID: 2735546 IUPAC Name: 1-(3-bromo-5-chloro-2-hydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=CC(Cl)=CC(Br)=C1O
| PubChem CID | 2735546 |
|---|---|
| CAS | 59443-15-1 |
| Molecular Weight (g/mol) | 249.49 |
| MDL Number | MFCD00857068 |
| SMILES | CC(=O)C1=CC(Cl)=CC(Br)=C1O |
| Synonym | 2-Acetyl-6-bromo-4-chlorophenol |
| IUPAC Name | 1-(3-bromo-5-chloro-2-hydroxyphenyl)ethan-1-one |
| InChI Key | FFAVKFQPEOGJOA-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrClO2 |
4'-Fluoropropiophenone 97.0+%, TCI America™
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CAS: 456-03-1 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.168 InChI Key: QIJNVLLXIIPXQT-UHFFFAOYSA-N Synonym: 4'-fluoropropiophenone,1-4-fluorophenyl propan-1-one,p-fluoropropiophenone,4-fluoropropiophenone,ethyl 4-fluorophenyl ketone,1-propanone, 1-4-fluorophenyl,propiophenone, 4'-fluoro,para-fluoropropiophenone,1-4-fluorophenyl-1-propanone,4;-fluoropropiophenone PubChem CID: 68004 IUPAC Name: 1-(4-fluorophenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)F
| PubChem CID | 68004 |
|---|---|
| CAS | 456-03-1 |
| Molecular Weight (g/mol) | 152.168 |
| SMILES | CCC(=O)C1=CC=C(C=C1)F |
| Synonym | 4'-fluoropropiophenone,1-4-fluorophenyl propan-1-one,p-fluoropropiophenone,4-fluoropropiophenone,ethyl 4-fluorophenyl ketone,1-propanone, 1-4-fluorophenyl,propiophenone, 4'-fluoro,para-fluoropropiophenone,1-4-fluorophenyl-1-propanone,4;-fluoropropiophenone |
| IUPAC Name | 1-(4-fluorophenyl)propan-1-one |
| InChI Key | QIJNVLLXIIPXQT-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO |
trans-2-Hexen-1-al Diethyl Acetal 95.0+%, TCI America™
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CAS: 67746-30-9 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 MDL Number: MFCD00009472 InChI Key: WMQKYHTZGYIHHD-CMDGGOBGSA-N Synonym: 1,1-Diethoxy-trans-2-hexene, Leaf Aldehyde Diethyl Acetal PubChem CID: 5365137 IUPAC Name: (E)-1,1-diethoxyhex-2-ene SMILES: CCCC=CC(OCC)OCC
| PubChem CID | 5365137 |
|---|---|
| CAS | 67746-30-9 |
| Molecular Weight (g/mol) | 172.268 |
| MDL Number | MFCD00009472 |
| SMILES | CCCC=CC(OCC)OCC |
| Synonym | 1,1-Diethoxy-trans-2-hexene, Leaf Aldehyde Diethyl Acetal |
| IUPAC Name | (E)-1,1-diethoxyhex-2-ene |
| InChI Key | WMQKYHTZGYIHHD-CMDGGOBGSA-N |
| Molecular Formula | C10H20O2 |
4-Butyrylbiphenyl 99.0+%, TCI America™
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CAS: 13211-01-3 Molecular Formula: C16H16O Molecular Weight (g/mol): 224.303 MDL Number: MFCD00022005 InChI Key: WOFNMZNJGZJHJO-UHFFFAOYSA-N PubChem CID: 83235 IUPAC Name: 1-(4-phenylphenyl)butan-1-one SMILES: CCCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
| PubChem CID | 83235 |
|---|---|
| CAS | 13211-01-3 |
| Molecular Weight (g/mol) | 224.303 |
| MDL Number | MFCD00022005 |
| SMILES | CCCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 |
| IUPAC Name | 1-(4-phenylphenyl)butan-1-one |
| InChI Key | WOFNMZNJGZJHJO-UHFFFAOYSA-N |
| Molecular Formula | C16H16O |
D-Sorbose 98.0+%, TCI America™
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CAS: 3615-56-3 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00151095 InChI Key: LKDRXBCSQODPBY-IANNHFEVSA-N Synonym: d-sorbose,keto-d-sorbose,unii-jj09461njs,3r,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,xylo-hexulose,sorbose, d,d-sor,d-xylo-hex-2-ulose,d-+-sorbose PubChem CID: 107428 ChEBI: CHEBI:13022 IUPAC Name: (3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol SMILES: OCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O
| PubChem CID | 107428 |
|---|---|
| CAS | 3615-56-3 |
| Molecular Weight (g/mol) | 180.16 |
| ChEBI | CHEBI:13022 |
| MDL Number | MFCD00151095 |
| SMILES | OCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O |
| Synonym | d-sorbose,keto-d-sorbose,unii-jj09461njs,3r,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,xylo-hexulose,sorbose, d,d-sor,d-xylo-hex-2-ulose,d-+-sorbose |
| IUPAC Name | (3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
| InChI Key | LKDRXBCSQODPBY-IANNHFEVSA-N |
| Molecular Formula | C6H12O6 |
3,4-Dichlorobenzaldehyde 98.0+%, TCI America™
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CAS: 6287-38-3 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00003351 InChI Key: ZWUSBSHBFFPRNE-UHFFFAOYSA-N Synonym: benzaldehyde, 3,4-dichloro,unii-i6z632wsj5,ccris 6015,pubchem8230,3,4-dichlorobenzaldehye,3,4-dichlorobenzaldhyde,3,4 dichlorobenzaldehyde,3,4-dichlorobenzaidehyde,4,3-dichlorobenzaldehyde,dsstox_cid_4971 PubChem CID: 22710 IUPAC Name: 3,4-dichlorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)Cl)Cl
| PubChem CID | 22710 |
|---|---|
| CAS | 6287-38-3 |
| Molecular Weight (g/mol) | 175.008 |
| MDL Number | MFCD00003351 |
| SMILES | C1=CC(=C(C=C1C=O)Cl)Cl |
| Synonym | benzaldehyde, 3,4-dichloro,unii-i6z632wsj5,ccris 6015,pubchem8230,3,4-dichlorobenzaldehye,3,4-dichlorobenzaldhyde,3,4 dichlorobenzaldehyde,3,4-dichlorobenzaidehyde,4,3-dichlorobenzaldehyde,dsstox_cid_4971 |
| IUPAC Name | 3,4-dichlorobenzaldehyde |
| InChI Key | ZWUSBSHBFFPRNE-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |