2-에틸-1,3-시클로펜탄디온

2-에틸-1,3-시클로펜탄디온 · 2-Ethylcyclopentane-1,3-dione · 1,3-Cyclopentanedione, 2-ethyl- · 2-Ethyl-1 · ETHYLCYCLE-D · 3-cyclopentanedione · DBCO-PEG-Deferoxamine · 1,3-Cyclopentanedione,2-e

https://huagongshe.com/ko/chemical/69978

식별자 및 물리적 특성

CAS No.	823-36-9
분자식	C7H10O2
평균 분자량	126.15 g/mol
단동위원소 질량	126.06807956 g/mol
SMILES	CCC1C(=O)CCC1=O
InChIKey	YDFBIBUYOUFJMR-UHFFFAOYSA-N
PubChem CID	69978
EC No.	212-512-3
DTXSID	DTXSID60231671
현지명	2-에틸-1,3-시클로펜탄디온

화학 및 물리적 성질

XLogP	0.6
극성 표면적	34.1
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	9
형식 전하	0
복잡도	133
녹는점	172-175 °C
끓는 점	194.28°C (rough estimate)
밀도	1.0579 (rough estimate)
굴절률	1.4660 (estimate)
저장 조건	Store at room temperature
용해도	메탄올에 용해됨
물리적 상태	powder to crystal
pKa(산도 계수)	10.87±0.20(Predicted)
색상	흰색에서 밝은 노란색
pH	2.94 at 24.3℃ and 10g/L
BRN	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(분배 계수)	0.3 at 30℃ and pH7.69
NIST	1,3-Cyclopentanedione, 2-ethyl-(823-36-9)

화학적 성질

off-white to yellow-beige crystalline powder

안전 및 규제

GHS 분류	WarningH315 (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 exposureRespiratory 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.
규제 정보	Status: Active Update: 13-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16598
Hazard Classes and Categories	Skin Irrit. 2 (50%)Eye Irrit. 2A (50%)Eye Irrit. 2B (50%)STOT SE 3 (50%)Aquatic Acute 3 (100%)
관세 코드	2914290090
안전 문구(S)	24/25