Organooxygen compounds
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Monopalmitin 95.0+%, TCI America™
CAS: 542-44-9 Molecular Formula: C19H38O4 Molecular Weight (g/mol): 330.51 MDL Number: MFCD00042734 InChI Key: QHZLMUACJMDIAE-UHFFFAOYNA-N Synonym: Glycerol alpha-Monopalmitate PubChem CID: 14900 ChEBI: CHEBI:69081 IUPAC Name: 2,3-dihydroxypropyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)CO
| PubChem CID | 14900 |
|---|---|
| CAS | 542-44-9 |
| Molecular Weight (g/mol) | 330.51 |
| ChEBI | CHEBI:69081 |
| MDL Number | MFCD00042734 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(O)CO |
| Synonym | Glycerol alpha-Monopalmitate |
| IUPAC Name | 2,3-dihydroxypropyl hexadecanoate |
| InChI Key | QHZLMUACJMDIAE-UHFFFAOYNA-N |
| Molecular Formula | C19H38O4 |
Ethyl L-(+)-Mandelate 98.0+%, TCI America™
CAS: 13704-09-1 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00064249 InChI Key: SAXHIDRUJXPDOD-VIFPVBQESA-N Synonym: L-(+)-Mandelic Acid Ethyl Ester PubChem CID: 6951557 ChEBI: CHEBI:78405 IUPAC Name: ethyl (2S)-2-hydroxy-2-phenylacetate SMILES: CCOC(=O)C(C1=CC=CC=C1)O
| PubChem CID | 6951557 |
|---|---|
| CAS | 13704-09-1 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:78405 |
| MDL Number | MFCD00064249 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1)O |
| Synonym | L-(+)-Mandelic Acid Ethyl Ester |
| IUPAC Name | ethyl (2S)-2-hydroxy-2-phenylacetate |
| InChI Key | SAXHIDRUJXPDOD-VIFPVBQESA-N |
| Molecular Formula | C10H12O3 |
4-Ethylcyclohexanol (cis- and trans- mixture) 97.0+%, TCI America™
CAS: 4534-74-1 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00001450,MFCD00070694 InChI Key: RVTKUJWGFBADIN-UHFFFAOYSA-N Synonym: 4-ethylcyclohexanol,trans-4-ethylcyclohexanol,cyclohexanol, 4-ethyl,cis-4-ethylcyclohexanol,cyclohexanol, 4-ethyl-, trans,4-ethylcyclohexanol,c&t,4-ethylcyclohexanol mixture of cis and trans,trans-4-ethyl cyclohexanol,ethyl cyclohexanol,cyclohexanol, 4-ethyl-, mixture of cis and trans PubChem CID: 78293 IUPAC Name: 4-ethylcyclohexan-1-ol SMILES: CCC1CCC(O)CC1
| PubChem CID | 78293 |
|---|---|
| CAS | 4534-74-1 |
| Molecular Weight (g/mol) | 128.22 |
| MDL Number | MFCD00001450,MFCD00070694 |
| SMILES | CCC1CCC(O)CC1 |
| Synonym | 4-ethylcyclohexanol,trans-4-ethylcyclohexanol,cyclohexanol, 4-ethyl,cis-4-ethylcyclohexanol,cyclohexanol, 4-ethyl-, trans,4-ethylcyclohexanol,c&t,4-ethylcyclohexanol mixture of cis and trans,trans-4-ethyl cyclohexanol,ethyl cyclohexanol,cyclohexanol, 4-ethyl-, mixture of cis and trans |
| IUPAC Name | 4-ethylcyclohexan-1-ol |
| InChI Key | RVTKUJWGFBADIN-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
2,12-Dichlorocyclododecanone 98.0+%, TCI America™
CAS: 858830-26-9 Molecular Formula: C12H20Cl2O Molecular Weight (g/mol): 251.19 MDL Number: MFCD04117917 InChI Key: MEHFXKFLCAZPSE-UHFFFAOYNA-N PubChem CID: 44630272 IUPAC Name: 2,12-dichlorocyclododecan-1-one SMILES: ClC1CCCCCCCCCC(Cl)C1=O
| PubChem CID | 44630272 |
|---|---|
| CAS | 858830-26-9 |
| Molecular Weight (g/mol) | 251.19 |
| MDL Number | MFCD04117917 |
| SMILES | ClC1CCCCCCCCCC(Cl)C1=O |
| IUPAC Name | 2,12-dichlorocyclododecan-1-one |
| InChI Key | MEHFXKFLCAZPSE-UHFFFAOYNA-N |
| Molecular Formula | C12H20Cl2O |
2,2-Dimethyl-1,3-dioxolane-4-methanol 98.0+%, TCI America™
CAS: 100-79-8 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.159 MDL Number: MFCD00063238 InChI Key: RNVYQYLELCKWAN-UHFFFAOYSA-N Synonym: solketal,2,2-dimethyl-1,3-dioxolane-4-methanol,2,2-dimethyl-1,3-dioxolan-4-yl methanol,glycerolacetone,dioxolan,isopropylidene glycerol,1,2-isopropylideneglycerol,1,2-o-isopropylideneglycerol,1,3-dioxolane-4-methanol, 2,2-dimethyl,glycerol dimethylketal PubChem CID: 7528 IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol SMILES: CC1(OCC(O1)CO)C
| PubChem CID | 7528 |
|---|---|
| CAS | 100-79-8 |
| Molecular Weight (g/mol) | 132.159 |
| MDL Number | MFCD00063238 |
| SMILES | CC1(OCC(O1)CO)C |
| Synonym | solketal,2,2-dimethyl-1,3-dioxolane-4-methanol,2,2-dimethyl-1,3-dioxolan-4-yl methanol,glycerolacetone,dioxolan,isopropylidene glycerol,1,2-isopropylideneglycerol,1,2-o-isopropylideneglycerol,1,3-dioxolane-4-methanol, 2,2-dimethyl,glycerol dimethylketal |
| IUPAC Name | (2,2-dimethyl-1,3-dioxolan-4-yl)methanol |
| InChI Key | RNVYQYLELCKWAN-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
Benzyl 4-Chlorophenyl Ketone 98.0+%, TCI America™
CAS: 1889-71-0 Molecular Formula: C14H11ClO Molecular Weight (g/mol): 230.69 MDL Number: MFCD00016342 InChI Key: DXVALSKCLLBZEB-UHFFFAOYSA-N Synonym: benzyl 4-chlorophenyl ketone,1-4-chlorophenyl-2-phenylethanone,4'-chloro-2-phenylacetophenone,4-chlorodeoxybenzoin,1-4-chlorophenyl-2-phenylethan-1-one,1-4-chlorophenyl-2-phenyl-ethanone,4-chlorodesoxy benzoin,chlorodeoxybenzoin,deoxy-4-chlorobenzoin,acmc-20a6by PubChem CID: 233840 IUPAC Name: 1-(4-chlorophenyl)-2-phenylethan-1-one SMILES: ClC1=CC=C(C=C1)C(=O)CC1=CC=CC=C1
| PubChem CID | 233840 |
|---|---|
| CAS | 1889-71-0 |
| Molecular Weight (g/mol) | 230.69 |
| MDL Number | MFCD00016342 |
| SMILES | ClC1=CC=C(C=C1)C(=O)CC1=CC=CC=C1 |
| Synonym | benzyl 4-chlorophenyl ketone,1-4-chlorophenyl-2-phenylethanone,4'-chloro-2-phenylacetophenone,4-chlorodeoxybenzoin,1-4-chlorophenyl-2-phenylethan-1-one,1-4-chlorophenyl-2-phenyl-ethanone,4-chlorodesoxy benzoin,chlorodeoxybenzoin,deoxy-4-chlorobenzoin,acmc-20a6by |
| IUPAC Name | 1-(4-chlorophenyl)-2-phenylethan-1-one |
| InChI Key | DXVALSKCLLBZEB-UHFFFAOYSA-N |
| Molecular Formula | C14H11ClO |
3'-Bromo-4'-methylacetophenone 98.0+%, TCI America™
CAS: 40180-80-1 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD02683854 InChI Key: PDJLFESXPVLVMR-UHFFFAOYSA-N PubChem CID: 3309401 IUPAC Name: 1-(3-bromo-4-methylphenyl)ethanone SMILES: CC1=C(C=C(C=C1)C(=O)C)Br
| PubChem CID | 3309401 |
|---|---|
| CAS | 40180-80-1 |
| Molecular Weight (g/mol) | 213.074 |
| MDL Number | MFCD02683854 |
| SMILES | CC1=C(C=C(C=C1)C(=O)C)Br |
| IUPAC Name | 1-(3-bromo-4-methylphenyl)ethanone |
| InChI Key | PDJLFESXPVLVMR-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |
2-Ethylcyclohexanol (cis- and trans- mixture) 97.0+%, TCI America™
CAS: 3760-20-1 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00001445 InChI Key: CFYUBZHJDXXXQE-UHFFFAOYSA-N PubChem CID: 19576 IUPAC Name: 2-ethylcyclohexan-1-ol SMILES: CCC1CCCCC1O
| PubChem CID | 19576 |
|---|---|
| CAS | 3760-20-1 |
| Molecular Weight (g/mol) | 128.215 |
| MDL Number | MFCD00001445 |
| SMILES | CCC1CCCCC1O |
| IUPAC Name | 2-ethylcyclohexan-1-ol |
| InChI Key | CFYUBZHJDXXXQE-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
2-Bromomethyl-1,3-dioxolane 95.0+%, TCI America™
CAS: 4360-63-8 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.002 MDL Number: MFCD00003214 InChI Key: CKIIJIDEWWXQEA-UHFFFAOYSA-N Synonym: 2-bromomethyl-1,3-dioxolane,bromoacetaldehyde ethylene acetal,1,3-dioxolane, 2-bromomethyl,1,3-dioxolan-2-yl methyl bromide,bromomethyl dioxolane,acmc-1afrf,2-bromomethyl-1,3-dioxolan,ksc495q7b,2-bromomethyl-1,3 dioxolane,2-bromomethyl-1, 3-dioxolane PubChem CID: 78068 IUPAC Name: 2-(bromomethyl)-1,3-dioxolane SMILES: C1COC(O1)CBr
| PubChem CID | 78068 |
|---|---|
| CAS | 4360-63-8 |
| Molecular Weight (g/mol) | 167.002 |
| MDL Number | MFCD00003214 |
| SMILES | C1COC(O1)CBr |
| Synonym | 2-bromomethyl-1,3-dioxolane,bromoacetaldehyde ethylene acetal,1,3-dioxolane, 2-bromomethyl,1,3-dioxolan-2-yl methyl bromide,bromomethyl dioxolane,acmc-1afrf,2-bromomethyl-1,3-dioxolan,ksc495q7b,2-bromomethyl-1,3 dioxolane,2-bromomethyl-1, 3-dioxolane |
| IUPAC Name | 2-(bromomethyl)-1,3-dioxolane |
| InChI Key | CKIIJIDEWWXQEA-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO2 |
trans-4-Isopropylcyclohexanol 93.0+%, TCI America™
CAS: 15890-36-5 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.242 InChI Key: DKKRDMLKVSKFMJ-UHFFFAOYSA-N PubChem CID: 20739 IUPAC Name: 4-propan-2-ylcyclohexan-1-ol SMILES: CC(C)C1CCC(CC1)O
| PubChem CID | 20739 |
|---|---|
| CAS | 15890-36-5 |
| Molecular Weight (g/mol) | 142.242 |
| SMILES | CC(C)C1CCC(CC1)O |
| IUPAC Name | 4-propan-2-ylcyclohexan-1-ol |
| InChI Key | DKKRDMLKVSKFMJ-UHFFFAOYSA-N |
| Molecular Formula | C9H18O |
3,4-Dimethoxy-3-cyclobutene-1,2-dione 98.0+%, TCI America™
CAS: 5222-73-1 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00101316 InChI Key: SZBNZTGCAMLMJY-UHFFFAOYSA-N PubChem CID: 123227 IUPAC Name: 3,4-dimethoxycyclobut-3-ene-1,2-dione SMILES: COC1=C(C(=O)C1=O)OC
| PubChem CID | 123227 |
|---|---|
| CAS | 5222-73-1 |
| Molecular Weight (g/mol) | 142.11 |
| MDL Number | MFCD00101316 |
| SMILES | COC1=C(C(=O)C1=O)OC |
| IUPAC Name | 3,4-dimethoxycyclobut-3-ene-1,2-dione |
| InChI Key | SZBNZTGCAMLMJY-UHFFFAOYSA-N |
| Molecular Formula | C6H6O4 |
trans,trans-2,4-Decadienal 90.0+%, TCI America™
CAS: 25152-84-5 Molecular Formula: C10H16O Molecular Weight (g/mol): 152.237 MDL Number: MFCD00007007 InChI Key: JZQKTMZYLHNFPL-BLHCBFLLSA-N Synonym: 2e,4e-deca-2,4-dienal,2,4-decadienal,e,e-2,4-decadienal,trans,trans-2,4-decadienal,2,4-decadienal, 2e,4e,2e,4e-decadienal,2e,4e-2,4-decadienal,2,4-decadienal, e,e,2-trans-4-trans-decadienal,ccris 4029 PubChem CID: 5283349 IUPAC Name: (2E,4E)-deca-2,4-dienal SMILES: CCCCCC=CC=CC=O
| PubChem CID | 5283349 |
|---|---|
| CAS | 25152-84-5 |
| Molecular Weight (g/mol) | 152.237 |
| MDL Number | MFCD00007007 |
| SMILES | CCCCCC=CC=CC=O |
| Synonym | 2e,4e-deca-2,4-dienal,2,4-decadienal,e,e-2,4-decadienal,trans,trans-2,4-decadienal,2,4-decadienal, 2e,4e,2e,4e-decadienal,2e,4e-2,4-decadienal,2,4-decadienal, e,e,2-trans-4-trans-decadienal,ccris 4029 |
| IUPAC Name | (2E,4E)-deca-2,4-dienal |
| InChI Key | JZQKTMZYLHNFPL-BLHCBFLLSA-N |
| Molecular Formula | C10H16O |
Ethyl Isopropyl Ether 98.0+%, TCI America™
CAS: 625-54-7 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00043532 InChI Key: XSJVWZAETSBXKU-UHFFFAOYSA-N Synonym: 2-Ethoxypropane PubChem CID: 12256 IUPAC Name: 2-ethoxypropane SMILES: CCOC(C)C
| PubChem CID | 12256 |
|---|---|
| CAS | 625-54-7 |
| Molecular Weight (g/mol) | 88.15 |
| MDL Number | MFCD00043532 |
| SMILES | CCOC(C)C |
| Synonym | 2-Ethoxypropane |
| IUPAC Name | 2-ethoxypropane |
| InChI Key | XSJVWZAETSBXKU-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
alpha-iso-Methylionone 70.0+%, TCI America™
CAS: 127-51-5 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.33 MDL Number: MFCD00034582 InChI Key: JRJBVWJSTHECJK-LUAWRHEFNA-N Synonym: alpha-Isomethylionone, 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one PubChem CID: 5372174 IUPAC Name: (3Z)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one SMILES: CC(=O)C(\C)=C/C1C(C)=CCCC1(C)C
| PubChem CID | 5372174 |
|---|---|
| CAS | 127-51-5 |
| Molecular Weight (g/mol) | 206.33 |
| MDL Number | MFCD00034582 |
| SMILES | CC(=O)C(\C)=C/C1C(C)=CCCC1(C)C |
| Synonym | alpha-Isomethylionone, 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one |
| IUPAC Name | (3Z)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one |
| InChI Key | JRJBVWJSTHECJK-LUAWRHEFNA-N |
| Molecular Formula | C14H22O |
Ethyl 3-Methyl-3-phenylglycidate (mixture of isomers) 95.0+%, TCI America™
CAS: 77-83-8 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.241 MDL Number: MFCD00022338 InChI Key: LQKRYVGRPXFFAV-UHFFFAOYSA-N Synonym: ethyl methylphenylglycidate,ethyl 3-methyl-3-phenylglycidate,strawberry aldehyde,fraeseol,empg,c-16 aldehyde,aldehyde c-16,ethyl methylphenyl glycidate,ethyl-3-methyl-3-phenylglycidate,ethyl 2,3-epoxy-3-phenylbutyrate PubChem CID: 6501 IUPAC Name: ethyl 3-methyl-3-phenyloxirane-2-carboxylate SMILES: CCOC(=O)C1C(O1)(C)C2=CC=CC=C2
| PubChem CID | 6501 |
|---|---|
| CAS | 77-83-8 |
| Molecular Weight (g/mol) | 206.241 |
| MDL Number | MFCD00022338 |
| SMILES | CCOC(=O)C1C(O1)(C)C2=CC=CC=C2 |
| Synonym | ethyl methylphenylglycidate,ethyl 3-methyl-3-phenylglycidate,strawberry aldehyde,fraeseol,empg,c-16 aldehyde,aldehyde c-16,ethyl methylphenyl glycidate,ethyl-3-methyl-3-phenylglycidate,ethyl 2,3-epoxy-3-phenylbutyrate |
| IUPAC Name | ethyl 3-methyl-3-phenyloxirane-2-carboxylate |
| InChI Key | LQKRYVGRPXFFAV-UHFFFAOYSA-N |
| Molecular Formula | C12H14O3 |