Ethyl 4-hydroxycyclohexanecarboxylate

ethyl 4-hydroxycyclohexane-1-carboxylate · 4-Hydroxycyclohexanecarboxylate · Ai3-28355 · Einecs 241-215-1 · Ethyl 4-hydroxycyclohexanecarbonate · Ethyl 4-hydroxycyclohexylcarboxylate · ETHYL 4-HYDROXYCYCLOHEXANECARBOXYLATE · Ethyl4-hydroxycyclohexanecarboxylate,98%

https://huagongshe.com/ko/chemical/86973

Ethyl 4-hydroxycyclohexanecarboxylate 분자 구조식

식별자 및 물리적 특성

CAS No.	17159-80-7
분자식	C9H16O3
평균 분자량	172.22 g/mol
단동위원소 질량	172.10994437 g/mol
SMILES	CCOC(=O)C1CCC(O)CC1
InChIKey	BZKQJSLASWRDNE-UHFFFAOYSA-N
PubChem CID	86973
EC No.	187-677-7
DTXSID	DTXSID90169135

화학 및 물리적 성질

XLogP	1
극성 표면적	46.5
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	12
형식 전하	0
복잡도	148
물질 분류	Industrial compound
끓는 점	127-134 °C0.1 mm Hg(lit.)
밀도	1.068 g/mL at 25 °C(lit.)
굴절률	n20/D 1.466(lit.)
인화점	>230 °F
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
물리적 상태	liquid
pKa(산도 계수)	14.98±0.40(Predicted)
비중	1.068
용해도	물에 섞이거나 혼합하기 어렵지 않습니다.
InChI	InChI=1S/C9H16O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3
InChIKey	BZKQJSLASWRDNE-UHFFFAOYSA-N
SMILES	C1(C(OCC)=O)CCC(O)CC1

안전 및 규제

GHS 분류	WarningH315 (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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
관세 코드	2918199890
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	10 - Combustible liquids

용도

Ethyl 4-hydroxycyclohexanecarboxylate, cis + trans is used in the synthesis of other chemicals and as pharmaceutical intermediate.