Methandiol

methanediol · Dihydroxymethane · 1,1-Dihydroxymethane · Formaldehyde hydrate · Hydrated formaldehyde · Formaldehyde monohydrate · Methanediol (6CI,7CI,8CI,9CI)

https://huagongshe.com/de/chemical/79015

Identifikatoren & physikalische Daten

CAS No.	463-57-0
Summenformel	CH4O2
Durchschnittliche Molmasse	48,041 g/mol
Monoisotopische Masse	48,02112937 g/mol
SMILES	OCO
InChIKey	CKFGINPQOCXMAZ-UHFFFAOYSA-N
PubChem CID	79015
ChEBI	CHEBI:48397
EC No.	207-339-5
DTXSID	DTXSID50196801
Lokaler Name	Methandiol

Chemische & physikalische Eigenschaften

XLogP	-1
Polarare Oberfläche (TPSA)	40,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	3
Formalladung	0
Komplexität	2,8
Kosmetika	Cosmetic ingredients (Methylene Glycol) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials Properties	Chemical shift
Siedepunkt	193.7±8.0 °C(Predicted)
Dichte	1.199±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	13.47±0.41(Predicted)
Henry-Konstante	9.9×101 mol/(m3Pa) at 25℃, Franco et al. (2021)
Kosmetik-Inhaltsstoffe Funktionen	NAIL CONDITIONINGNAIL SCULPTING
LogP (Verteilungskoeffizient)	-1.920 (est)

Sicherheit & Vorschriften

Toxizitätsübersicht	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

Toxizitätsübersicht

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