Formaldehyde

Basic Info

FADB-China IDC0025
Substance NameIndustrial formaldehyde
Substance Chinese Name工业用甲醛
Molecular NameFormaldehyde
Molecular Chinese Name甲醛
2D StructureNo image
CAS Number50-00-0
PubChem CID712
FormulaCH2O
IUPAC NameFormaldehyde
InChI KeyWSFSSNUMVMOOMR-UHFFFAOYSA-N
InChIInChI=1S/CH2O/c1-2/h1H2
Canonical SMILES

C=O

Isomeric SMILES

C=O

CFM-ID 3.0URL Link
Related linksProcessing
Addition PurposesImprove appearance and texture
Molecular Synonyms
        
            Formaldehyde
        
            Formalin
        
            Methanal
        
            Paraformaldehyde
        
            50-00-0
        
            Methylene oxide
        
            Oxomethane
        
            Paraform
        
            Formol
        
            Formic aldehyde
Data UploaderShuyu Ouyang
Update DateJul 25, 2019 20:46

Properties

Property NameProperty Value
Molecular Weight30.026
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Complexity2
Monoisotopic Mass30.010564684
Exact Mass30.010564684
XLogP1.2
Formal Charge0
Heavy Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

ADMET

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.9820
Human Intestinal AbsorptionHIA+0.9757
Caco-2 PermeabilityCaco2+0.7834
P-glycoprotein SubstrateNon-substrate0.8663
P-glycoprotein InhibitorNon-inhibitor0.9633
Non-inhibitor0.9831
Renal Organic Cation TransporterNon-inhibitor0.9145
Distribution
Subcellular localizationMitochondria0.4617
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8628
CYP450 2D6 SubstrateNon-substrate0.9157
CYP450 3A4 SubstrateNon-substrate0.8203
CYP450 1A2 InhibitorNon-inhibitor0.8503
CYP450 2C9 InhibitorNon-inhibitor0.9662
CYP450 2D6 InhibitorNon-inhibitor0.9735
CYP450 2C19 InhibitorNon-inhibitor0.9531
CYP450 3A4 InhibitorNon-inhibitor0.9770
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.9443
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9573
Non-inhibitor0.9823
AMES ToxicityAMES toxic0.6450
CarcinogensCarcinogens 0.6567
Fish ToxicityHigh FHMT0.7216
Tetrahymena Pyriformis ToxicityHigh TPT0.8773
Honey Bee ToxicityHigh HBT0.8071
BiodegradationReady biodegradable0.7562
Acute Oral ToxicityII0.7606
Carcinogenicity (Three-class)Non-required0.7138

ADMET -- Regression

Model Value Unit
Aqueous solubility0.6503LogS
Caco-2 Permeability1.6527LogPapp, cm/s
Rat Acute Toxicity2.5082LD50, mol/kg
Fish Toxicity0.3638pLC50, mg/L
Tetrahymena Pyriformis Toxicity0.6879pIGC50, ug/L

Related Foods

FADB-China ID F0022
Food Image No Pictures
Food Name Trepang
Food Chinese Name 海参
Food Type Non-processed food
References List of non-edible substances that may be illegally added in food (first batch)
FADB-China ID F0023
Food Image No Pictures
Food Name Squid
Food Chinese Name 鱿鱼
Food Type Non-processed food
References List of non-edible substances that may be illegally added in food (first batch)
FADB-China ID F0051
Food Image No Pictures
Food Name Blood curd
Food Chinese Name 血豆腐
Food Type Processed food
References List of non-edible substances that may be illegally added in food (first batch)

Potential Illegal Additives

ID Structure Name Source PubChem Link


No Image

Formyl radical		 

National Health Commission of the People's Republic of China

Link

References

TitleDOI/PubMed/ISSN
List of non-edible substances that may be illegally added in food (first batch)