Dihydro-3,3-dimethyl-2H-pyran-2,6(3H)-dione

HCID 76247CAS 2938-48-9

기본 정보

표준 SMILES: CC1(C)CCC(=O)OC1=O
InChIKey: PAVNZLVXYJDFNR-UHFFFAOYSA-N
분자식: C7H10O3
평균 분자량: 142.15 g/mol
단동위원소 질량: 142.06299418

이름 및 식별자

우선 이름: Dihydro-3,3-dimethyl-2H-pyran-2,6(3H)-dione
IUPAC: 3,3-dimethyloxane-2,6-dione
영어명: 2,2-Dimethylglutaric anhydride
분자식: C7H10O3
분자량: 142.15

이름 및 동의어

2H-Pyran-2,6(3H)-dione, dihydro-3,3-dimethyl-Dihydro-3,3-dimethyl-2H-pyran-2,6(3H)-dione2WKF1QUU1DDTXSID70183612EINECS 220-922-9NSC-60199NSC 60199RefChem:587666DTXCID10106103220-922-92,2-Dimethylglutaric anhydride2938-48-9

이름 더 보기

2,2-Dimethylglutaric Anhydride >2,2-Dimethylglutaric anhydride,98%2,2-DIMETHYLGLUTARIC ANHYDRIDE 98%2,2-dimethylglutaric acid anhydrideALPHA,ALPHA-DIMETHYLGLUTARIC ANHYDRIDE3,3-dimethyltetrahydro-2H-pyran-2,6-dione

3,3-dimethyloxane-2,6-dione3,3-Dimethyldihydro-2H-pyran-2,6(3H)-dioneMFCD000066823,3-dimethyltetrahydropyran-2,6-dioneAKOS0089010723,3-dimethyl-dihydro-pyran-2,6-dioneSY049499.alpha.,.alpha.-Dimethyl glutaric anhydride

데이터베이스 식별자

CAS: 2938-48-9
PubChem CID: 76247
DTXSID: DTXSID70183612
UNII: 2WKF1QUU1D
EC Number: 220-922-9
Nikkaji: J151.111D

물성

구조 계산 물성

XLogP: 0.8
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: 181

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 34 · 34-38 °C (lit.)
끓는 점: 175 · 175-180 °C/60 mmHg (lit.)
밀도: 1.1643 · 1.1643 (rough estimate)
굴절률: 1.473 · 1.4730 (estimate)
인화점: 230 °F · >230 °F
물리적 상태: powder to lump
색상: 흰색에서 거의 흰색
BRN: 117056 · 117056
InChI: InChI=1S/C7H10O3/c1-7(2)4-3-5(8)10-6(7)9/h3-4H2,1-2H3
InChIKey: PAVNZLVXYJDFNR-UHFFFAOYSA-N
SMILES: C1(=O)OC(=O)CCC1(C)C

화학적 성질

white crystals or 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.