메탄디올

Methanediol

HCID 79015CAS 463-57-0

기본 정보

표준 SMILES
OCO
InChIKey
CKFGINPQOCXMAZ-UHFFFAOYSA-N
분자식
CH4O2
평균 분자량
48.041 g/mol
단동위원소 질량
48.02112937

개요

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.

이름 및 식별자

우선 이름
Methanediol
IUPAC
methanediol
현지명
메탄디올
영어명
methanediol
분자식
CH4O2
분자량
48.04

이름 및 동의어

MethanediolMethylene glycoldihydroxymethane463-57-0CHEBI:48397DTXSID501968016Z20YM9257RefChem:156911DTXCID50119292207-339-5formaldehyde hydrateMethandiol
이름 더 보기
메탄디올1,1-DihydroxymethaneHydrated formaldehydeFormaldehyde monohydrateMethanediol (6CI,7CI,8CI,9CI)
Methanediol-UNII-6Z20YM9257EINECS 207-339-5Paraformaldehyde, powderSCHEMBL4597UNII-T0H3L6C7I5SCHEMBL15938SCHEMBL28460

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
-1
극성 표면적
40.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
3

실험 및 물리화학적 성질

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

물리화학적 성질

끓는 점
193.7 · 193.7±8.0 °C(Predicted)
밀도
1.199 · 1.199±0.06 g/cm3(Predicted)
산도 계수 (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)
화장품 원료 기능
손톱 컨디셔닝네일 스컬핑
LogP
-1.92 · -1.920 (est)

안전 및 규제

독성 정보

Toxicity Summary · 2건

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

안전 데이터

기존화학 물질
KE-23183

화학 및 산업

용도 및 제조

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

상·하류 제품 정보

공급사3 곳

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]

추가 설명

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

관련 반응

2건

연결된 노트

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