3-Methylglutaric anhydride

HCID 77828CAS 4166-53-4

기본 정보

표준 SMILES: CC1CC(=O)OC(=O)C1
InChIKey: MGICRVTUCPFQQZ-UHFFFAOYSA-N
분자식: C6H8O3
평균 분자량: 128.13 g/mol
단동위원소 질량: 128.04734412

이름 및 식별자

우선 이름: 3-Methylglutaric anhydride
IUPAC: 4-methyloxane-2,6-dione
영어명: 3-Methylglutaric anhydride
분자식: C6H8O3
분자량: 128.13

이름 및 동의어

3-Methylglutaric anhydride4166-53-4EINECS 224-020-6DTXSID90194487RefChem:504221DTXCID00116978224-020-64-methyloxane-2,6-dione4-Methyldihydro-2H-pyran-2,6(3H)-dioneMFCD00006683.beta.-Methylglutaric anhydrideSCHEMBL287040

이름 더 보기

3-Methyglutaric anhydride3-MethylglutaricAnhydride>BETA-METHYLGLUTARIC ANHYDRIDE3-Methylglutaricanhydride,98%3-Methylglutaric anhydride,97%3-Methylpentanedioic anhydride3-Methylglutaric anhydride 98%

3-Methylglutaric anhydride, 98%BBL027601CS-0152693EN300-66372D792064-methyltetrahydropyran-2,6-dioneFT-06351694-methyl-dihydro-pyran-2

데이터베이스 식별자

CAS: 4166-53-4
PubChem CID: 77828
DTXSID: DTXSID90194487
EC Number: 224-020-6
Nikkaji: J224.971E

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 134

물리화학적 성질

녹는점: 42 · 42-46 °C (lit.)
끓는 점: 180 · 180-182 °C/25 mmHg (lit.)
밀도: 1.2072 · 1.2072 (rough estimate)
굴절률: 1.4585 · 1.4585 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 결정질 저융점 고체
색상: 하얀색
BRN: 114457 · 114457
안정성: 수분에 민감한
InChI: 1S/C6H8O3/c1-4-2-5(7)9-6(8)3-4/h4H,2-3H2,1H3
InChIKey: MGICRVTUCPFQQZ-UHFFFAOYSA-N
SMILES: CC1CC(=O)OC(=O)C1

화학적 성질

WHITE CRYSTALLINE LOW MELTING SOLID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29171900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 10-21
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도3-Methylglutaric Anhydride is a reagent used in the synthesis of oxoeicosanoid receptor antagonists which are involved in mediating stimulatory effects on cell types involved in mediating immunity-based inflammatory reactions.