Organooxygen compounds
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5-Hydroxy-2-pentanone (mixture of monomer and dimer) 96.0+%, TCI America™
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CAS: 1071-73-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00002961 InChI Key: JSHPTIGHEWEXRW-UHFFFAOYSA-N Synonym: 3-Acetyl-1-propanol PubChem CID: 14066 IUPAC Name: 5-hydroxypentan-2-one SMILES: CC(=O)CCCO
| PubChem CID | 14066 |
|---|---|
| CAS | 1071-73-4 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00002961 |
| SMILES | CC(=O)CCCO |
| Synonym | 3-Acetyl-1-propanol |
| IUPAC Name | 5-hydroxypentan-2-one |
| InChI Key | JSHPTIGHEWEXRW-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
4-(Hydroxymethyl)cyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 13380-84-2 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD10566907,MFCD01734677,MFCD10566906 InChI Key: VQMIUUBKKPIDBN-UHFFFAOYSA-N Synonym: 4-Carboxy-1-cyclohexanemethanol PubChem CID: 202819 IUPAC Name: 4-(hydroxymethyl)cyclohexane-1-carboxylic acid SMILES: OCC1CCC(CC1)C(O)=O
| PubChem CID | 202819 |
|---|---|
| CAS | 13380-84-2 |
| Molecular Weight (g/mol) | 158.20 |
| MDL Number | MFCD10566907,MFCD01734677,MFCD10566906 |
| SMILES | OCC1CCC(CC1)C(O)=O |
| Synonym | 4-Carboxy-1-cyclohexanemethanol |
| IUPAC Name | 4-(hydroxymethyl)cyclohexane-1-carboxylic acid |
| InChI Key | VQMIUUBKKPIDBN-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
6-Hydroxy-1-indanone 98.0+%, TCI America™
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CAS: 62803-47-8 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.16 MDL Number: MFCD00513530 InChI Key: MOANRQDXNNXOLW-UHFFFAOYSA-N PubChem CID: 7020659 IUPAC Name: 6-hydroxy-2,3-dihydro-1H-inden-1-one SMILES: OC1=CC2=C(CCC2=O)C=C1
| PubChem CID | 7020659 |
|---|---|
| CAS | 62803-47-8 |
| Molecular Weight (g/mol) | 148.16 |
| MDL Number | MFCD00513530 |
| SMILES | OC1=CC2=C(CCC2=O)C=C1 |
| IUPAC Name | 6-hydroxy-2,3-dihydro-1H-inden-1-one |
| InChI Key | MOANRQDXNNXOLW-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
1,3-Cyclopentanediol (cis- and trans- mixture) 95.0+%, TCI America™
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CAS: 59719-74-3 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00001367 InChI Key: NUUPJBRGQCEZSI-UHFFFAOYSA-N Synonym: 1,3-cyclopentanediol,1,3-cyclopentanediol, cis,1,3-cyclopentanediol, mixture of cis and trans,1,3-cyclopentandiol,1,4-cyclopentanediol,cyclopentan-1,3-diol,3-hydroxy cylcopentanol,cyclopentane 1,3-diol,acmc-20ap4n,1,3-dihydroxycyclopentane PubChem CID: 100165 IUPAC Name: cyclopentane-1,3-diol SMILES: C1CC(CC1O)O
| PubChem CID | 100165 |
|---|---|
| CAS | 59719-74-3 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00001367 |
| SMILES | C1CC(CC1O)O |
| Synonym | 1,3-cyclopentanediol,1,3-cyclopentanediol, cis,1,3-cyclopentanediol, mixture of cis and trans,1,3-cyclopentandiol,1,4-cyclopentanediol,cyclopentan-1,3-diol,3-hydroxy cylcopentanol,cyclopentane 1,3-diol,acmc-20ap4n,1,3-dihydroxycyclopentane |
| IUPAC Name | cyclopentane-1,3-diol |
| InChI Key | NUUPJBRGQCEZSI-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
trans-4-(tert-Butoxycarbonylamino)cyclohexanol 98.0+%, TCI America™
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CAS: 111300-06-2 Molecular Formula: C11H21NO3 Molecular Weight (g/mol): 215.29 MDL Number: MFCD03844613,MFCD03844614,MFCD06658349 InChI Key: DQARDWKWPIRJEH-UHFFFAOYSA-N Synonym: trans-4-boc-aminocyclohexanol,tert-butyl 4-hydroxycyclohexyl carbamate,boc-trans-4-aminocyclohexanol,4-boc-amino cyclohexanol,tert-butyl trans-4-hydroxycyclohexyl carbamate,tert-butyl n-4-hydroxycyclohexyl carbamate,tert-butyl cis-4-hydroxycyclohexylcarbamate,trans-n-boc-4-amino-cyclohexanol,4-n-boc-amino-cyclohexanol,tert-butyl cis-4-hydroxycyclohexyl carbamate PubChem CID: 1514287 IUPAC Name: tert-butyl N-(4-hydroxycyclohexyl)carbamate SMILES: CC(C)(C)OC(=O)NC1CCC(O)CC1
| PubChem CID | 1514287 |
|---|---|
| CAS | 111300-06-2 |
| Molecular Weight (g/mol) | 215.29 |
| MDL Number | MFCD03844613,MFCD03844614,MFCD06658349 |
| SMILES | CC(C)(C)OC(=O)NC1CCC(O)CC1 |
| Synonym | trans-4-boc-aminocyclohexanol,tert-butyl 4-hydroxycyclohexyl carbamate,boc-trans-4-aminocyclohexanol,4-boc-amino cyclohexanol,tert-butyl trans-4-hydroxycyclohexyl carbamate,tert-butyl n-4-hydroxycyclohexyl carbamate,tert-butyl cis-4-hydroxycyclohexylcarbamate,trans-n-boc-4-amino-cyclohexanol,4-n-boc-amino-cyclohexanol,tert-butyl cis-4-hydroxycyclohexyl carbamate |
| IUPAC Name | tert-butyl N-(4-hydroxycyclohexyl)carbamate |
| InChI Key | DQARDWKWPIRJEH-UHFFFAOYSA-N |
| Molecular Formula | C11H21NO3 |
Ethyl 4,4,4-Trichloroacetoacetate 97.0+%, TCI America™
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CAS: 3702-98-5 Molecular Formula: C6H7Cl3O3 Molecular Weight (g/mol): 233.469 MDL Number: MFCD00043329 InChI Key: XGIRWPYENXRJMZ-UHFFFAOYSA-N Synonym: 4,4,4-Trichloroacetoacetic Acid Ethyl Ester PubChem CID: 77294 IUPAC Name: ethyl 4,4,4-trichloro-3-oxobutanoate SMILES: CCOC(=O)CC(=O)C(Cl)(Cl)Cl
| PubChem CID | 77294 |
|---|---|
| CAS | 3702-98-5 |
| Molecular Weight (g/mol) | 233.469 |
| MDL Number | MFCD00043329 |
| SMILES | CCOC(=O)CC(=O)C(Cl)(Cl)Cl |
| Synonym | 4,4,4-Trichloroacetoacetic Acid Ethyl Ester |
| IUPAC Name | ethyl 4,4,4-trichloro-3-oxobutanoate |
| InChI Key | XGIRWPYENXRJMZ-UHFFFAOYSA-N |
| Molecular Formula | C6H7Cl3O3 |
3-Chloro-4-pyridinecarboxaldehyde 98.0+%, TCI America™
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CAS: 72990-37-5 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.554 MDL Number: MFCD06200712 InChI Key: ZVGDKOQPJCOCLI-UHFFFAOYSA-N Synonym: 3-chloroisonicotinaldehyde,3-chloropyridine-4-carboxaldehyde,3-chloro-4-pyridinecarboxaldehyde,3-chloro-4-pyridinecarbaldehyde,3-chloro-pyridine-4-carbaldehyde,3-chloro-4-formylpyridine,4-pyridinecarboxaldehyde, 3-chloro,acmc-1bgrb,ksc377a6f PubChem CID: 2762995 IUPAC Name: 3-chloropyridine-4-carbaldehyde SMILES: C1=CN=CC(=C1C=O)Cl
| PubChem CID | 2762995 |
|---|---|
| CAS | 72990-37-5 |
| Molecular Weight (g/mol) | 141.554 |
| MDL Number | MFCD06200712 |
| SMILES | C1=CN=CC(=C1C=O)Cl |
| Synonym | 3-chloroisonicotinaldehyde,3-chloropyridine-4-carboxaldehyde,3-chloro-4-pyridinecarboxaldehyde,3-chloro-4-pyridinecarbaldehyde,3-chloro-pyridine-4-carbaldehyde,3-chloro-4-formylpyridine,4-pyridinecarboxaldehyde, 3-chloro,acmc-1bgrb,ksc377a6f |
| IUPAC Name | 3-chloropyridine-4-carbaldehyde |
| InChI Key | ZVGDKOQPJCOCLI-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
Bromoacetaldehyde Diethyl Acetal 95.0+%, TCI America™
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CAS: 2032-35-1 Molecular Formula: C6H13BrO2 Molecular Weight (g/mol): 197.07 MDL Number: MFCD00000214 InChI Key: LILXDMFJXYAKMK-UHFFFAOYSA-N Synonym: bromoacetaldehyde diethyl acetal,bromoacetal,2,2-diethoxyethyl bromide,ethane, 2-bromo-1,1-diethoxy,bromacetal,1-bromo-2,2-diethoxyethane,diethyl bromoacetal,2-bromoacetaldehyde diethyl acetal,1,1-diethoxy-2-bromoethane,diethyl bromoacetaldehyde acetal PubChem CID: 74852 IUPAC Name: 2-bromo-1,1-diethoxyethane SMILES: CCOC(CBr)OCC
| PubChem CID | 74852 |
|---|---|
| CAS | 2032-35-1 |
| Molecular Weight (g/mol) | 197.07 |
| MDL Number | MFCD00000214 |
| SMILES | CCOC(CBr)OCC |
| Synonym | bromoacetaldehyde diethyl acetal,bromoacetal,2,2-diethoxyethyl bromide,ethane, 2-bromo-1,1-diethoxy,bromacetal,1-bromo-2,2-diethoxyethane,diethyl bromoacetal,2-bromoacetaldehyde diethyl acetal,1,1-diethoxy-2-bromoethane,diethyl bromoacetaldehyde acetal |
| IUPAC Name | 2-bromo-1,1-diethoxyethane |
| InChI Key | LILXDMFJXYAKMK-UHFFFAOYSA-N |
| Molecular Formula | C6H13BrO2 |
Hexachloroacetone 98.0+%, TCI America™
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CAS: 116-16-5 Molecular Formula: C3Cl6O Molecular Weight (g/mol): 264.73 MDL Number: MFCD00000796 InChI Key: DOJXGHGHTWFZHK-UHFFFAOYSA-N Synonym: hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro PubChem CID: 8303 ChEBI: CHEBI:82243 IUPAC Name: hexachloropropan-2-one SMILES: ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl
| PubChem CID | 8303 |
|---|---|
| CAS | 116-16-5 |
| Molecular Weight (g/mol) | 264.73 |
| ChEBI | CHEBI:82243 |
| MDL Number | MFCD00000796 |
| SMILES | ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl |
| Synonym | hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro |
| IUPAC Name | hexachloropropan-2-one |
| InChI Key | DOJXGHGHTWFZHK-UHFFFAOYSA-N |
| Molecular Formula | C3Cl6O |
Bis(2-hydroxyethyl)dithiocarbamic Acid Zinc(II) Salt 98.0+%, TCI America™
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CAS: 19163-92-9 Molecular Formula: C10H20N2O4S4Zn Molecular Weight (g/mol): 425.9 MDL Number: MFCD00070508 InChI Key: BRJVMKALQCUXPN-UHFFFAOYSA-L Synonym: Bis[bis(2-hydroxyethyl)dithiocarbamato]zinc(II) PubChem CID: 87948 IUPAC Name: zinc;N,N-bis(2-hydroxyethyl)carbamodithioate SMILES: C(CO)N(CCO)C(=S)[S-].C(CO)N(CCO)C(=S)[S-].[Zn+2]
| PubChem CID | 87948 |
|---|---|
| CAS | 19163-92-9 |
| Molecular Weight (g/mol) | 425.9 |
| MDL Number | MFCD00070508 |
| SMILES | C(CO)N(CCO)C(=S)[S-].C(CO)N(CCO)C(=S)[S-].[Zn+2] |
| Synonym | Bis[bis(2-hydroxyethyl)dithiocarbamato]zinc(II) |
| IUPAC Name | zinc;N,N-bis(2-hydroxyethyl)carbamodithioate |
| InChI Key | BRJVMKALQCUXPN-UHFFFAOYSA-L |
| Molecular Formula | C10H20N2O4S4Zn |
2,3-Dihydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 24677-78-9 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.122 MDL Number: MFCD00003324 InChI Key: IXWOUPGDGMCKGT-UHFFFAOYSA-N Synonym: o-pyrocatechualdehyde,5,6-dihydroxybenzaldehyde,benzaldehyde, 2,3-dihydroxy,benzaldehyde, dihydroxy,2,3-dihydroxybenzaldehyde,dihydroxybenzaldehyde,pubchem6561,acmc-1clux,2,3-dihydroxy benzaldehyde,2,3-dihydroxy-benzaldehyde PubChem CID: 90579 ChEBI: CHEBI:50197 IUPAC Name: 2,3-dihydroxybenzaldehyde SMILES: C1=CC(=C(C(=C1)O)O)C=O
| PubChem CID | 90579 |
|---|---|
| CAS | 24677-78-9 |
| Molecular Weight (g/mol) | 138.122 |
| ChEBI | CHEBI:50197 |
| MDL Number | MFCD00003324 |
| SMILES | C1=CC(=C(C(=C1)O)O)C=O |
| Synonym | o-pyrocatechualdehyde,5,6-dihydroxybenzaldehyde,benzaldehyde, 2,3-dihydroxy,benzaldehyde, dihydroxy,2,3-dihydroxybenzaldehyde,dihydroxybenzaldehyde,pubchem6561,acmc-1clux,2,3-dihydroxy benzaldehyde,2,3-dihydroxy-benzaldehyde |
| IUPAC Name | 2,3-dihydroxybenzaldehyde |
| InChI Key | IXWOUPGDGMCKGT-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
trans-2-Hexenal 97.0+%, TCI America™
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CAS: 6728-26-3 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00007008 InChI Key: MBDOYVRWFFCFHM-SNAWJCMRSA-N Synonym: trans-2-hexenal,2-hexenal,leaf aldehyde,e-2-hexenal,e-hex-2-enal,2-trans-hexenal,beta-propyl acrolein,hexylenic aldehyde,hex-2-en-1-al,2-hexenal, e PubChem CID: 5281168 ChEBI: CHEBI:28913 IUPAC Name: (E)-hex-2-enal SMILES: CCCC=CC=O
| PubChem CID | 5281168 |
|---|---|
| CAS | 6728-26-3 |
| Molecular Weight (g/mol) | 98.145 |
| ChEBI | CHEBI:28913 |
| MDL Number | MFCD00007008 |
| SMILES | CCCC=CC=O |
| Synonym | trans-2-hexenal,2-hexenal,leaf aldehyde,e-2-hexenal,e-hex-2-enal,2-trans-hexenal,beta-propyl acrolein,hexylenic aldehyde,hex-2-en-1-al,2-hexenal, e |
| IUPAC Name | (E)-hex-2-enal |
| InChI Key | MBDOYVRWFFCFHM-SNAWJCMRSA-N |
| Molecular Formula | C6H10O |
Allyl Acetoacetate 95.0+%, TCI America™
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CAS: 1118-84-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00009811 InChI Key: AXLMPTNTPOWPLT-UHFFFAOYSA-N Synonym: allyl acetoacetate,allyl 3-oxobutanoate,allyl acetylacetate,acetoacetic acid, allyl ester,butanoic acid, 3-oxo-, 2-propenyl ester,prop-2-en-1-yl 3-oxobutanoate,acetoacetic acid allyl ester,2-propenyl 3-oxobutanoate,ac-allyl,unii-8hx066j62p PubChem CID: 70701 IUPAC Name: prop-2-enyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC=C
| PubChem CID | 70701 |
|---|---|
| CAS | 1118-84-9 |
| Molecular Weight (g/mol) | 142.154 |
| MDL Number | MFCD00009811 |
| SMILES | CC(=O)CC(=O)OCC=C |
| Synonym | allyl acetoacetate,allyl 3-oxobutanoate,allyl acetylacetate,acetoacetic acid, allyl ester,butanoic acid, 3-oxo-, 2-propenyl ester,prop-2-en-1-yl 3-oxobutanoate,acetoacetic acid allyl ester,2-propenyl 3-oxobutanoate,ac-allyl,unii-8hx066j62p |
| IUPAC Name | prop-2-enyl 3-oxobutanoate |
| InChI Key | AXLMPTNTPOWPLT-UHFFFAOYSA-N |
| Molecular Formula | C7H10O3 |
Hexaethylene Glycol Monododecyl Ether 97.0+%, TCI America™
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CAS: 3055-96-7 Molecular Formula: C24H50O7 Molecular Weight (g/mol): 450.657 MDL Number: MFCD00042660 InChI Key: OJCFEGKCRWEVSN-UHFFFAOYSA-N PubChem CID: 18282 IUPAC Name: 2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol SMILES: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
| PubChem CID | 18282 |
|---|---|
| CAS | 3055-96-7 |
| Molecular Weight (g/mol) | 450.657 |
| MDL Number | MFCD00042660 |
| SMILES | CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO |
| IUPAC Name | 2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
| InChI Key | OJCFEGKCRWEVSN-UHFFFAOYSA-N |
| Molecular Formula | C24H50O7 |
1,5-Pentanediol 97.0+%, TCI America™
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CAS: 111-29-5 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00002978 InChI Key: ALQSHHUCVQOPAS-UHFFFAOYSA-N Synonym: 1,5-pentanediol,1,5-dihydroxypentane,pentylene glycol,pentamethylene glycol,1,5-pentylene glycol,1,5 pentanediol,1,5-pentamethylene glycol,alpha,omega-pentanediol,unii-07uxz0scst,1,5-pentandiol PubChem CID: 8105 IUPAC Name: pentane-1,5-diol SMILES: OCCCCCO
| PubChem CID | 8105 |
|---|---|
| CAS | 111-29-5 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00002978 |
| SMILES | OCCCCCO |
| Synonym | 1,5-pentanediol,1,5-dihydroxypentane,pentylene glycol,pentamethylene glycol,1,5-pentylene glycol,1,5 pentanediol,1,5-pentamethylene glycol,alpha,omega-pentanediol,unii-07uxz0scst,1,5-pentandiol |
| IUPAC Name | pentane-1,5-diol |
| InChI Key | ALQSHHUCVQOPAS-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |