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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 | PAMDB120041 |
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Identification |
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| Name: |
salicylaldehyde |
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| Description: | A hydroxybenzaldehyde carrying a hydroxy substituent at position 2. |
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Structure |
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| Synonyms: | - 2-Hydroxybenzaldehyde
- o-formylphenol
- o-Hydroxybenzaldehyde
- salicylal
- Salicylaldehyd
- Salicylaldehyde
- salicylaldehyde
- Salizylaldehyd
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Chemical Formula: |
C7H6O2 |
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| Average Molecular Weight: |
122.123 |
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| Monoisotopic Molecular
Weight: |
122.03678 |
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| InChI Key: |
SMQUZDBALVYZAC-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H |
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| CAS
number: |
90-02-8 |
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| IUPAC Name: | 2-hydroxybenzaldehyde |
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Traditional IUPAC Name: |
salicylaldehyde |
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| SMILES: | C1(C=CC(O)=C(C=O)C=1) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. |
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Kingdom |
Organic compounds |
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| Super Class | Benzenoids |
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Class |
Benzene and substituted derivatives |
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| Sub Class | Benzaldehydes |
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Direct Parent |
Hydroxybenzaldehydes |
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| Alternative Parents |
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| Substituents |
- Hydroxybenzaldehyde
- Benzoyl
- Aryl-aldehyde
- Phenol
- Vinylogous acid
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- Aromatic homomonocyclic compound
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| Molecular Framework |
Aromatic homomonocyclic 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: |
0.7 °C |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | 0.7 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 17 mg/mL at 86 °C | Not Available | | LogP | 1.81 | 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: |
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Spectra |
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| Spectra: |
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References |
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| References: |
- Montalbano F, Cal PM, Carvalho MA, Gonçalves LM, Lucas SD, Guedes RC, Veiros LF, Moreira R, Gois PM (2013)Discovery of new heterocycles with activity against human neutrophile elastase based on a boron promoted one-pot assembly reaction. Organic & biomolecular chemistry 11, Pubmed: 23715243
- Caboni P, Aissani N, Cabras T, Falqui A, Marotta R, Liori B, Ntalli N, Sarais G, Sasanelli N, Tocco G (2013)Potent nematicidal activity of phthalaldehyde, salicylaldehyde, and cinnamic aldehyde against Meloidogyne incognita. Journal of agricultural and food chemistry 61, Pubmed: 23379671
- Kim HK, Yun YK, Ahn YJ (2008)Fumigant toxicity of cassia bark and cassia and cinnamon oil compounds to Dermatophagoides farinae and Dermatophagoides pteronyssinus (Acari: Pyroglyphidae). Experimental & applied acarology 44, Pubmed: 18247142
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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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