メタンジオール

Methanediol

HCID 79015CAS 463-57-0

基本情報

標準SMILES
OCO
InChIKey
CKFGINPQOCXMAZ-UHFFFAOYSA-N
分子式
CH4O2
平均分子量
48.041 g/mol
単同位体質量
48.02112937

概要

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.

名称と識別子

優先名称
Methanediol
IUPAC
methanediol
現地名
メタンジオール
英語名
methanediol
分子式
CH4O2
分子量
48.04

名称と別名

MethanediolMethylene glycoldihydroxymethane463-57-0CHEBI:48397DTXSID501968016Z20YM9257RefChem:156911DTXCID50119292207-339-5formaldehyde hydrateMethandiol
名称をさらに表示
ジヒドロキシメタンホルムアルデヒド水和物メタンジオールジオキシメチレン1,1-DihydroxymethaneHydrated formaldehydeFormaldehyde monohydrateMethanediol (6CI,7CI,8CI,9CI)
Methanediol-UNII-6Z20YM9257EINECS 207-339-5Paraformaldehyde, powderSCHEMBL4597UNII-T0H3L6C7I5SCHEMBL15938SCHEMBL28460

データベース識別子

CAS
463-57-0
PubChem CID
79015
DTXSID
DTXSID50196801
ChEBI
CHEBI:48397
EC Number
207-339-5
Nikkaji
J196.183G

物性

構造計算による物性

XLogP
-1
極性表面積
40.5 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
0
重原子数
3

実験および物理化学的性質

CosmeticsCosmetic ingredients (Methylene Glycol) -> CIR (Cosmetic Ingredient Review)
SpringerMaterials PropertiesChemical shift

物理化学的性質

沸点
193.7 · 193.7±8.0 °C(Predicted)
比重(密度)
1.199 · 1.199±0.06 g/cm3(Predicted)
酸解離定数(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)
化粧品成分の機能
爪のコンディショニングネイルスカルプティング
LogP
-1.92 · -1.920 (est)

安全と法規制

毒性情報

Toxicity Summary · 2 件

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

化学と産業

用途と製造

UsesCIR ingredient: Methylene Glycol
Household ProductsInformation on 2 consumer products that contain Methylene glycol in the following categories is provided:

上流・下流製品情報

サプライヤー3 社

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]

補足説明

定義本品は、次の化学式で表される有機化合物である。

定義ChEBI: The simplest member of the class of methanediols that is methane in which two of the hydrogens have been substituted by hydroxy groups.

関連反応

2 件

関連ノート

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