4-헥사노일레조르시놀

4-헥사노일레조르시놀 · 1-(2,4-Dihydroxyphenyl)hexan-1-one · 4-HEXANOYLRESORCINOL · Bupivacaine Impurity 18 · 2',4'-DIHYDROXYHEXANOPHENONE · 2,4-Dihydroxyphenylpentyl ketone · 2,4-Dihydroxyphenyl(pentyl) ketone · 1-(2,4-DIHYDROXYPHENYL)-1-HEXANONE

https://huagongshe.com/ko/chemical/76596

식별자 및 물리적 특성

CAS No.	3144-54-5
분자식	C12H16O3
평균 분자량	208.25 g/mol
단동위원소 질량	208.10994437 g/mol
SMILES	CCCCCC(=O)c1ccc(O)cc1O
InChIKey	SKUFHZAEFGZSQK-UHFFFAOYSA-N
PubChem CID	76596
ChEMBL	CHEMBL1440045
ChEBI	CHEBI:108115
EC No.	221-555-7
DTXSID	DTXSID50871883
현지명	4-헥사노일레조르시놀

화학 및 물리적 성질

XLogP	3.4
극성 표면적	57.5
수소 결합 공여자 수	2
수소 결합 수용자 수	3
회전 가능 결합 수	5
무거운 원자 수	15
형식 전하	0
복잡도	203
Endocrine Disruptors	Potential endocrine disrupting compound
녹는점	53-56 °C(lit.)
끓는 점	217 °C14 mm Hg(lit.)
밀도	1.0989 (rough estimate)
굴절률	1.5141 (estimate)
인화점	>230 °F
pKa(산도 계수)	7.83±0.35(Predicted)

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.WarningH315 (97.4%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (97.4%)
수질 위해 등급(WGK)	3
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-37/39

용도

1-(2,4-Dihydroxyphenyl)-1-hexanone is could be a useful compound for efficient depolymerization of alkaline lignin using a mesoporous solid base catalyst.