2-에틸-1,3-시클로펜탄디온

2-Ethylcyclopentane-1,3-dione

HCID 69978CAS 823-36-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCC1C(=O)CCC1=O
InChIKey: YDFBIBUYOUFJMR-UHFFFAOYSA-N
분자식: C7H10O2
평균 분자량: 126.15 g/mol
단동위원소 질량: 126.06807956

이름 및 식별자

우선 이름: 2-Ethylcyclopentane-1,3-dione
IUPAC: 2-ethylcyclopentane-1,3-dione
현지명: 2-에틸-1,3-시클로펜탄디온
영어명: 2-Ethyl-1,3-cyclopentanedione
분자식: C7H10O2
분자량: 126.15

이름 및 동의어

2-Ethyl-1,3-cyclopentanedione823-36-92-Ethylcyclopentane-1,3-dioneEINECS 212-512-391A82TE3OSDTXSID60231671EC 212-512-3RefChem:471923DTXCID90154162212-512-31,3-Cyclopentanedione, 2-ethyl-MFCD00044191

이름 더 보기

2-에틸-1,3-시클로펜탄디온2-Ethyl-1ETHYLCYCLE-D3-cyclopentanedioneDBCO-PEG-Deferoxamine1,3-Cyclopentanedione,2-e2-ETHYLCYCLOPENTAN-1,3-DIONE2-Ehtyl-1,3-Cyclopentanedione

2-Ethyl-1,3-cyclopentanedione;UNII-91A82TE3OSorb3023557SCHEMBL45019032-ethyl-cyclopentan-1,3-dione2-ethyl-cyclopentane-1,3-dioneTN9456AKOS006229571

데이터베이스 식별자

CAS: 823-36-9
PubChem CID: 69978
DTXSID: DTXSID60231671
UNII: 91A82TE3OS
EC Number: 212-512-3
Nikkaji: J145.028J

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 133

물리화학적 성질

녹는점: 172 · 172-175 °C
끓는 점: 194.28 °C · 194.28°C (rough estimate)
밀도: 1.0579 · 1.0579 (rough estimate)
굴절률: 1.466 · 1.4660 (estimate)
저장 조건: Store at room temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 10.87 · 10.87±0.20(Predicted)
색상: 흰색에서 밝은 노란색
수소이온지수(pH): 2.94 at · 2.94 at 24.3℃ and 10g/L
BRN: 1860068 · 1860068
InChI: InChI=1S/C7H10O2/c1-2-5-6(8)3-4-7(5)9/h5H,2-4H2,1H3
InChIKey: YDFBIBUYOUFJMR-UHFFFAOYSA-N
SMILES: C1(=O)CCC(=O)C1CC
LogP: 0.3 at · 0.3 at 30℃ and pH7.69
NIST: 1 · 1,3-Cyclopentanedione, 2-ethyl-(823-36-9)

화학적 성질

off-white to yellow-beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H320 (50%): Causes eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H402 (100%): Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P271, P273, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.