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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB120598 |
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Identification |
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| Name: |
isobutanal |
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| Description: | A member of the class of propanals that is propanal substituted by a methyl group at position 2. |
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Structure |
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| Synonyms: | - 2-methylpropanal
- 2-methylpropionaldehyde
- α-methylpropionaldehyde
- isobutanal
- isobutylaldehyde
- isobutyric aldehyde
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Chemical Formula: |
C4H8O |
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| Average Molecular Weight: |
72.107 |
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| Monoisotopic Molecular
Weight: |
72.05752 |
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| InChI Key: |
AMIMRNSIRUDHCM-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3 |
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| CAS
number: |
78-84-2 |
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| IUPAC Name: | 2-methylpropanal |
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Traditional IUPAC Name: |
isobutyraldehyde |
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| SMILES: | CC(C)[CH]=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as short-chain aldehydes. These are an aldehyde with a chain length containing between 2 and 5 carbon atoms. |
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Kingdom |
Organic compounds |
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| Super Class | Organooxygen compounds |
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Class |
Carbonyl compounds |
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| Sub Class | Aldehydes |
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Direct Parent |
Short-chain aldehydes |
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| Alternative Parents |
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| Substituents |
- Hydrocarbon derivative
- Short-chain aldehyde
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Liquid |
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| Charge: | 0 |
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Melting point: |
-65.9 °C |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | -65.9 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 89 mg/mL at 25 °C | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
Not Available |
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Spectra |
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| Spectra: |
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References |
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| References: |
- Rodriguez GM, Atsumi S (2012)Isobutyraldehyde production from Escherichia coli by removing aldehyde reductase activity. Microbial cell factories 11, Pubmed: 22731523
- Lang K, Zierow J, Buehler K, Schmid A (2014)Metabolic engineering of Pseudomonas sp. strain VLB120 as platform biocatalyst for the production of isobutyric acid and other secondary metabolites. Microbial cell factories 13, Pubmed: 24397404
- Liu X, Bastian S, Snow CD, Brustad EM, Saleski TE, Xu JH, Meinhold P, Arnold FH (2012)Structure-guided engineering of Lactococcus lactis alcohol dehydrogenase LlAdhA for improved conversion of isobutyraldehyde to isobutanol. Journal of biotechnology 164, Pubmed: 22974724
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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