3,3-Dimethylglutaric anhydride

HCID 77813CAS 4160-82-1

기본 정보

표준 SMILES: CC1(C)CC(=O)OC(=O)C1
InChIKey: HIJQFTSZBHDYKW-UHFFFAOYSA-N
분자식: C7H10O3
평균 분자량: 142.15 g/mol
단동위원소 질량: 142.06299418

이름 및 식별자

우선 이름: 3,3-Dimethylglutaric anhydride
IUPAC: 4,4-dimethyloxane-2,6-dione
영어명: 3,3-Dimethylglutaric anhydride
분자식: C7H10O3
분자량: 142.15

이름 및 동의어

3,3-Dimethylglutaric anhydride4160-82-14,4-Dimethyldihydro-2H-pyran-2,6(3H)-dione2H-Pyran-2,6(3H)-dione, dihydro-4,4-dimethyl-Glutaric anhydride, 3,3-dimethyl-U3BON0TR03NSC 2827NSC-28273,3-dimethylglutaric acid anhydrideEINECS 223-998-1Dihydro-4,4-dimethyl-2H-pyran-2,6(3H)-dioneGlutaric anhydride, beta,beta-dimethyl-

이름 더 보기

GEPI-005MONO-0024,4-dimethyloxane-2,6-dione3,3-Dimethyladipic anhydride3,3'-DIMETHYL GLUTARIC ANHYDRIDE3,3-DIMETHYLGLUTARIC ANHYDRIDE 99%

.beta.,.beta.-Dimethylglutaric anhydrideAI3-11032DTXSID40633274,4-DIMETHYLDIHYDROPYRAN-2,6-DIONERefChem:485584DTXCID8039950beta,beta-Dimethylglutaric anhydride223-998-1

데이터베이스 식별자

CAS: 4160-82-1
PubChem CID: 77813
DTXSID: DTXSID4063327
UNII: U3BON0TR03
EC Number: 223-998-1
Nikkaji: J151.112B

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 124 · 124-126 °C (lit.)
끓는 점: 181 °C/25 · 181 °C/25 mmHg (lit.)
밀도: 1.1643 · 1.1643 (rough estimate)
굴절률: 1.473 · 1.4730 (estimate)
인화점: 181 °C/25mm · 181°C/25mm
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 결정성 분말
색상: 흰색에서 황백색까지
InChI: InChI=1S/C7H10O3/c1-7(2)3-5(8)10-6(9)4-7/h3-4H2,1-2H3
InChIKey: HIJQFTSZBHDYKW-UHFFFAOYSA-N
SMILES: C1(=O)OC(=O)CC(C)(C)C1
EPA: 2 H-Pyran-2,6 · 2H-Pyran-2,6(3H)-dione, dihydro-4,4-dimethyl- (4160-82-1)

화학적 성질

white to off-white crystalline powder

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.