4-하이드록시메틸-1,3-다이옥솔란-2-원

Glycerol carbonate

HCID 97944CAS 931-40-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C1OCC(CO)O1
InChIKey: JFMGYULNQJPJCY-UHFFFAOYSA-N
분자식: C4H6O4
평균 분자량: 118.09 g/mol
단동위원소 질량: 118.02660867

개요

structure in first source

이름 및 식별자

우선 이름: Glycerol carbonate
IUPAC: 4-(hydroxymethyl)-1,3-dioxolan-2-one
현지명: 4-하이드록시메틸-1,3-다이옥솔란-2-원
영어명: 4-Hydroxymethyl-1,3-dioxolan-2-one
분자식: C4H6O4
분자량: 118.09

이름 및 동의어

931-40-81,3-Dioxolan-2-one, 4-(hydroxymethyl)-4-Hydroxymethyl-1,3-dioxolan-2-onehydroxymethyl dioxolanoneglycerol carbonateC15K4UUJ1EMACKADERM GCDTXSID90862477NSC-60535JEFFSOL GLYCERINE CARBONATERefChem:414855DTXCID00811234

이름 더 보기

4-하이드록시메틸-1,3-다이옥솔란-2-원하이드록시메틸다이옥솔라논Glycerine carbonateGlycerincarbonateGLYCERYL CARBONATEGlycerolCarbonate70%Glycerol Carbonate 70%Glycerol1,2-Carbonate>1-O,2-O-Carbonylglycerol

213-235-04-(Hydroxymethyl)-1,3-dioxolan-2-oneGlycerol 1,2-CarbonateMFCD000855614-hydroxymethyl-[1,3]dioxolan-2-oneUNII-C15K4UUJ1EEINECS 213-235-0AI3-22904

데이터베이스 식별자

CAS: 931-40-8
PubChem CID: 97944
DTXSID: DTXSID90862477
UNII: C15K4UUJ1E
EC Number: 213-235-0
Nikkaji: J38.319H

물성

구조 계산 물성

XLogP: -1.5
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 100

물리화학적 성질

끓는 점: 137 · 137-140 °C/0.5 mmHg (lit.)
밀도: 1.4 g/mL · 1.4 g/mL at 25 °C (lit.)
증기압: 0.93 Pa · 0.93Pa at 25℃
굴절률: 20 · n20/D 1.469(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 물에 용해됨
산도 계수 (pKa): 13.71 · 13.71±0.10(Predicted)
물리적 상태: 액체
색상: 무색~담황색 투명
수용성: 1000 g/L · 1000g/L at 24℃
화장품 원료 기능: 용제
InChI: InChI=1S/C4H6O4/c5-1-3-2-7-4(6)8-3/h3,5H,1-2H2
InChIKey: JFMGYULNQJPJCY-UHFFFAOYSA-N
SMILES: O1CC(CO)OC1=O
LogP: -1.39 at · -1.39 at 25℃
EPA: 1 · 1,3-Dioxolan-2-one, 4-(hydroxymethyl)- (931-40-8)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 99.2% (121 of 122) of all reports.

Not Classified

Aggregated GHS information provided per 122 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 2건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 07-01-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/5622

EPA Safer ChemicalChemical: 4-Hydroxymethyl-1,3-dioxolan-2-one

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk: 1
tsca: TSCA listed
HS 번호: 29329990
safety_code: 23
기존화학 물질: 2011-3-5031
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

Use Classification · 2건

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern

General Manufacturing Information1,3-Dioxolan-2-one, 4-(hydroxymethyl)-: ACTIVE

응용 분야

용도4-(Hydroxymethyl)-1,3-dioxolan-2-one is used in method of finishing a metallic surface.

제조 방법 · 1건

A stirred mixture of potassium hydrogen carbonate (10.0 g, 0.1 mol), 18-crown-6 (0.2 g, 0.76 mmol), and 1-chloro-2,3-epoxypropane (27.6 g, 0.3 mol) was heated at 80℃ for 36 h. After cooling and removal of the potassium salt by filtration, the organic layer was washed with water and 991 was distilled at 152–160℃/0.6–0.8 mmHg; yield 4.83 g (41%).