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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 2.8
실험 및 물리화학적 성질
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
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
상·하류 제품 정보
하류 제품
공급사3 곳
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
연결된 노트
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