Basic information
- Standard SMILES
OCO- InChIKey
CKFGINPQOCXMAZ-UHFFFAOYSA-N- Molecular formula
- CH4O2
- Average molar mass
- 48.041 g/mol
- Monoisotopic mass
- 48.02112937
Overview
Methanediol is the simplest member of the class of methanediols that is methane in which two of the hydrogens have been substituted by hydroxy groups. It is a member of methanediols, an aldehyde hydrate and a one-carbon compound.
Names & identifiers
- Preferred name
- Methanediol
- IUPAC
- methanediol
- English name
- methanediol
- Molecular formula
- CH4O2
- Molecular weight
- 48.04
Names & synonyms
MethanediolMethylene glycoldihydroxymethane463-57-0CHEBI:48397DTXSID501968016Z20YM9257RefChem:156911DTXCID50119292207-339-5formaldehyde hydrateMethandiol
Show more names
1,1-DihydroxymethaneHydrated formaldehydeFormaldehyde monohydrateMethanediol (6CI,7CI,8CI,9CI)
Methanediol-UNII-6Z20YM9257EINECS 207-339-5Paraformaldehyde, powderSCHEMBL4597UNII-T0H3L6C7I5SCHEMBL15938SCHEMBL28460
Database identifiers
- CAS
463-57-0- PubChem CID
- 79015
- DTXSID
DTXSID50196801- ChEBI
CHEBI:48397- EC Number
- 207-339-5
- Nikkaji
- J196.183G
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 2.8
Experimental & physicochemical properties
CosmeticsCosmetic ingredients (Methylene Glycol) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 193.7 · 193.7±8.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- pka
- 13.47 · 13.47±0.41(Predicted)
- Henry's Law Constant
- 9.9 · 9.9×101 mol/(m3Pa) at 25℃, Franco et al. (2021)
- Cosmetics Ingredients Functions
- NAIL CONDITIONINGNAIL SCULPTING
- LogP
- -1.92 · -1.920 (est)
- FDA UNII
- METHYLENE GLYCOL (6Z20YM9257)FORMALDEHYDE SOLUTION (T0H3L6C7I5)
Safety & regulation
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that formaldehyde and methylene glycol are safe for use in cosmetics when formulated to ensure use at the minimal effective concentration, but in no case should the formalin concentration exceed 0.2% (w/w), which would be 0.074% (w/w) calculated as formaldehyde or 0.118% (w/w) calculated as methylene glycol. Additionally, formaldehyde and methylene glycol are safe in the present practices of use and concentration in nail hardening products. However, formaldehyde and methylene glycol are unsafe in the present practices of use and concentration in hair smoothing products (a.k.a. hair straightening products). Formalin is an aqueous solution wherein formaldehyde (gas) has been added to water to a saturation point, which is typically 37% formaldehyde (w/w). Because of the equilibrium between formaldehyde and methylene glycol in aqueous solution, formalin is composed of both formaldehyde and methylene glycol.
Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Methylene Glycol
Household ProductsInformation on 2 consumer products that contain Methylene glycol in the following categories is provided:
Upstream & downstream products
Downstream products
Suppliers3 total
BOC Sciences[email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: The simplest member of the class of methanediols that is methane in which two of the hydrogens have been substituted by hydroxy groups.
Related reactions
2 records
Linked notes
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