| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:08:35 UTC |
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| Update date | 2019-11-26 03:03:28 UTC |
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| Primary ID | FDB009445 |
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| Secondary Accession Numbers | |
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| Chemical Information |
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| FooDB Name | Formaldehyde |
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| Description | Formaldehyde, also known as formalin or methanal, belongs to the class of organic compounds known as carbonyl compounds. These are organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group. Formaldehyde exists in all living species, ranging from bacteria to plants to humans. Formaldehyde has been detected, but not quantified in, several different foods, such as roselles (Hibiscus sabdariffa), pepper (spice), towel gourds (Luffa aegyptiaca), spearmints (Mentha spicata), and hard wheats (Triticum durum). This could make formaldehyde a potential biomarker for the consumption of these foods. Formaldehyde is formally rated as a carcinogen (by IARC 1) and is also a potentially toxic compound. Based on a literature review a significant number of articles have been published on Formaldehyde. |
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| CAS Number | 50-00-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Formaldehyd | ChEBI | | FORMALIN | ChEBI | | Methanal | ChEBI | | Methylene oxide | ChEBI | | Oxomethane | ChEBI | | Oxomethylene | ChEBI | | Hyperband | Kegg | | Formol | MeSH | | Methaldehyde | HMDB | | Methylene glycol | HMDB | | Aldeide formica | HMDB | | Fannoform | HMDB | | Formalina | HMDB | | Formaline | HMDB | | Formalith | HMDB | | Formic aldehyde | HMDB | | Paraform | HMDB | | Formalin | manual | | Methyl aldehyde | biospider | | Oxymethylene | biospider |
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| Predicted Properties | |
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| Chemical Formula | CH2O |
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| IUPAC name | formaldehyde |
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| InChI Identifier | InChI=1S/CH2O/c1-2/h1H2 |
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| InChI Key | WSFSSNUMVMOOMR-UHFFFAOYSA-N |
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| Isomeric SMILES | C=O |
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| Average Molecular Weight | 30.026 |
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| Monoisotopic Molecular Weight | 30.010564686 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as carbonyl compounds. These are organic compounds containing a carbonyl group, with the general structure RC(=O)R', where R=organyl, R'=H, N, O, organyl group or halide group. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbonyl compounds |
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| Direct Parent | Carbonyl compounds |
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| Alternative Parents | |
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| Substituents | - Organic oxide
- Hydrocarbon derivative
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Physiological effect | Health effect: |
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| Disposition | Route of exposure: Source: Biological location: |
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| Process | Industrial process: |
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| Role | Indirect biological role: Environmental role: Industrial application: Biological role: |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Liquid | |
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| Physical Description | Not Available | |
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| Mass Composition | Not Available | |
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| Melting Point | -92 oC | |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | 400 mg/mL at 20 oC | PICKRELL,JA et al. (1983) |
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| Experimental logP | 0.35 | HANSCH,C ET AL. (1995) |
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| Experimental pKa | 13.3 | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| EI-MS | Mass Spectrum (Electron Ionization) | splash10-004i-9000000000-58b4df664ee160d1f943 | 2014-09-20 | View Spectrum | | Predicted GC-MS | Aldehydes, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-001i-9000000000-2863df3346e6e0796248 | Spectrum | | Predicted GC-MS | Aldehydes, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-9000000000-793a330f9e6c7661e86d | 2015-04-24 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-9000000000-793a330f9e6c7661e86d | 2015-04-24 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-9000000000-793a330f9e6c7661e86d | 2015-04-24 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-9000000000-5ea4ad4bdb0565b737bb | 2015-04-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9000000000-5ea4ad4bdb0565b737bb | 2015-04-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-5ea4ad4bdb0565b737bb | 2015-04-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-9000000000-1534590d4d03d9b463f5 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9000000000-1534590d4d03d9b463f5 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-1534590d4d03d9b463f5 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-9000000000-eaca5f454fe5238ba078 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-9000000000-eaca5f454fe5238ba078 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-9000000000-eaca5f454fe5238ba078 | 2021-09-25 | View Spectrum |
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| NMR | | Type | Description | | View |
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| 1D NMR | 1H NMR Spectrum (1D, 300 MHz, TMS, experimental) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, D2O, experimental) | | Spectrum | | 1D NMR | 13C NMR Spectrum (1D, D2O, experimental) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | | Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | | Spectrum | | 2D NMR | [1H, 1H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental) | | Spectrum |
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| External Links |
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| ChemSpider ID | 692 |
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| ChEMBL ID | CHEMBL1255 |
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| KEGG Compound ID | C00067 |
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| Pubchem Compound ID | 712 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | 16842 |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | DB03843 |
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| HMDB ID | HMDB01426 |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | 1397 |
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| Dr. Duke ID | FORMALDEHYDE |
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| BIGG ID | 33726 |
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| KNApSAcK ID | Not Available |
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| HET ID | FOR |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Formaldehyde |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | | Descriptor | ID | Definition | Reference |
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| Allergenic | 50904 | A substance that triggers an immune response, causing allergic reactions. Its biological role is to stimulate the immune system, but it has no therapeutic applications. Key medical uses include diagnosing allergies and developing immunotherapies to desensitize patients to specific allergens, reducing the risk of severe reactions. | DUKE | | Anesthetic | | A drug that induces a reversible loss of sensation, used to prevent pain and discomfort during medical procedures, surgeries, and diagnostic tests, promoting patient comfort and facilitating treatment. | DUKE | | Anti-cystitic | | An agent that diminishes inflammation of the urinary bladder, providing relief from cystitis symptoms. Its biological role involves reducing irritation and discomfort in the bladder lining. Therapeutically, it is used to treat urinary tract infections, interstitial cystitis, and other bladder disorders, alleviating symptoms such as pain, frequency, and urgency. | DUKE | | Anti-plantar | | An agent that relieves inflammation of the plantar fascia, reducing pain and discomfort in the heel and foot, commonly used to treat plantar fasciitis and other foot-related conditions. | DUKE | | Anti septic | 33281 | An agent that prevents or reduces the growth of microorganisms, such as bacteria, fungi, or viruses, to promote wound healing and prevent infection. Therapeutically, anti septics are used to treat minor cuts, scrapes, and burns, and are commonly applied topically to reduce the risk of infection and promote tissue repair. Key medical uses include wound care, surgical site preparation, and skin infection management. | DUKE | | Anti-viral | 22587 | An agent that inhibits the replication of viruses, playing a crucial role in preventing and treating viral infections. Therapeutically, anti-virals are used to manage diseases such as HIV, herpes, and influenza, reducing symptoms and slowing disease progression. Key medical uses include treating viral hepatitis, respiratory syncytial virus, and COVID-19. | DUKE | | Fungicide | 24127 | An agent that kills or inhibits the growth of fungi, playing a biological role in preventing fungal infections. Therapeutically, it is used to treat fungal diseases, with key medical applications including athlete's foot, ringworm, and candidiasis, as well as agricultural uses to protect crops from fungal damage. | DUKE | | Irritant | | An agent that causes slight inflammation or discomfort, stimulating a biological response. Therapeutically, it can be used to increase blood flow or stimulate healing. Key medical uses include treating wounds, skin conditions, and respiratory issues, such as congestion, by inducing a mild inflammatory response to promote recovery. | DUKE | | Mutagenic | | An agent that induces genetic mutations, altering DNA sequences. It plays a biological role in evolution and adaptation. Therapeutically, mutagenic agents are used in cancer treatment, such as chemotherapy, and in gene therapy to introduce beneficial traits. Key medical uses include oncology and genetic research. | DUKE | | Neoplastic | | An agent or effect that promotes abnormal tissue growth, often leading to cancer. Its biological role involves uncontrolled cell division. Therapeutically, neoplastic agents are used in cancer research and treatment, with key medical applications in oncology, including tumor growth studies and development of anti-cancer therapies. | DUKE | | Pesticide | 25944 | An agent that kills or repels pests, playing a biological role in controlling insect, weed, and fungal populations. Therapeutically, pesticides have limited applications, but some are used to treat ectoparasitic infestations, such as lice and scabies. Key medical uses include topical treatments for head lice and scabies, highlighting their role in managing parasitic infections. | DUKE | | Scolicide | 33281 | An agent that kills tapeworms, particularly used to treat parasitic infections such as echinococcosis and cysticercosis, by targeting the scolices (tapeworm heads) and preventing further growth and reproduction. | DUKE | | Carcinogenic | 50903 | An agent that causes cancer, damaging cellular DNA and disrupting normal cell growth. It has no therapeutic applications, but understanding its biological role informs cancer prevention and treatment strategies, with key medical uses in oncology research and risk assessment. | CHEBI |
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| Enzymes | | Name | Gene Name | UniProt ID |
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| Cytochrome P450, family 1, subfamily A, polypeptide 1 | CYP1A1 | A0N0X8 | | Cytochrome P450 2D6 | CYP2D6 | Q6NWU0 | | Lysine-specific demethylase 2A | KDM2A | Q9Y2K7 | | Lysine-specific demethylase 2B | KDM2B | Q8NHM5 | | Peroxiredoxin-6 | PRDX6 | P30041 |
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| Pathways | |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | show |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | — Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).
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