1,4-다이옥산-2,5-다이온

Glycolide

HCID 65432CAS 502-97-6

기본 정보

표준 SMILES: O=C1COC(=O)CO1
InChIKey: RKDVKSZUMVYZHH-UHFFFAOYSA-N
분자식: C4H4O4
평균 분자량: 116.07 g/mol
단동위원소 질량: 116.01095861

개요

ABH001 is under investigation in clinical trial NCT01749306 (A Study of the Efficacy and Safety of ABH001 in the Treatment of Patients With Epidermolysis Bullosa Who Have Wounds That Are Not Healing).

이름 및 식별자

우선 이름: Glycolide
IUPAC: 1,4-dioxane-2,5-dione
현지명: 1,4-다이옥산-2,5-다이온
영어명: 1,4-Dioxane-2,5-dione
분자식: C4H4O4
분자량: 116.07

이름 및 동의어

GlycolideGlycollidep-Dioxane-2,5-dioneUNII-YRZ676PGU6YRZ676PGU6EINECS 207-954-9NSC 403079NSC-403079RefChem:74901,4-Dioxane-2,5-dione502-97-6MFCD00081108

이름 더 보기

1,4-다이옥산-2,5-다이온1,4-디옥산-2,5-디온GlycolidGLYCOLIDE A1,4-DIOXANE-2,3-DIOLL10014EGlycolide>GLYCOLIDE USPPURASORB(R) GGA Glycolide

1,4-Dioxan-2,5-dioneGlycolide S;Glycollide; Glycolide26202-08-42,5-dioxo-1,4-dioxaneGlycolide,99.9%Glycolide, >=99%SCHEMBL15066ABH001

데이터베이스 식별자

CAS: 502-97-6
PubChem CID: 65432
DTXSID: DTXSID8060115
UNII: YRZ676PGU6
EC Number: 207-954-9
Nikkaji: J2.602F

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 112

실험 및 물리화학적 성질

SpringerMaterials PropertiesFusion temperature

Physical DescriptionLarge Crystals

물리화학적 성질

녹는점: 81 · 81-83°C
끓는 점: 130 °C · 130°C(lit.)
밀도: 1.1315 · 1.1315 (rough estimate)
굴절률: 1.45 · 1.4500 (estimate)
저장 조건: -20 °C · -20°C
용해도: 디클로로메탄(약간), DMSO(약간)에 용해됨
물리적 상태: 고체
색상: 흰색에서 황백색까지
안정성: 흡습성
화장품 원료 기능: 보습제피부 컨디셔닝
InChI: InChI=1S/C4H4O4/c5-3-1-7-4(6)2-8-3/h1-2H2
InChIKey: RKDVKSZUMVYZHH-UHFFFAOYSA-N
SMILES: O1CC(=O)OCC1=O
NIST: 1 · 1,4-Dioxane-2,5-dione(502-97-6)
EPA: 1 · 1,4-Dioxane-2,5-dione (502-97-6)

화학적 성질

mp 82-86°C 99.5+%

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

1,4-Dioxane-2,5-dione is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Dioxane-2,5-dione are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

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

Status: Active Update: 08-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20813

Hazard Classes and CategoriesAcute Tox. 4 (93.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29322090
risk_code: 36/37/38-36-22
hazard_code: Xi,Xn
safety_code: 22-24/25-37/39-26
기존화학 물질: 2000-3-1401
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

U.S. Production2020: 442,847 lb

Industry UsesMonomers

General Manufacturing Information · 2건

Plastics Material and Resin Manufacturing

1,4-Dioxane-2,5-dione: ACTIVE

응용 분야 · 2건

용도1,4-Dioxane-2,5-dione is used in the fabricating of artificial blood vessels.

일반 설명Glycolide is a cyclic dimer of α-hydroxy acid that can be used in the formation of aliphatic polyester. It is synthesized by the dimerization of glycolic acid. It forms a low toxic synthetic biodegradable polymer that can be used in medical applications. It is majorly used in the formation of a highly crystalline poly(glycolide) by ring opening polymerization.