1-(4-하이드록시-3-메톡시페닐)데칸-5-온

1-(4-하이드록시-3-메톡시페닐)데칸-5-온 · 6-paradol · PARADOL · [6]-Gingerone · 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone · 5-Paradol · 6-Paradol 98% · 3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-

https://huagongshe.com/ko/chemical/94378

식별자 및 물리적 특성

CAS No.	27113-22-0
분자식	C17H26O3
평균 분자량	278.4 g/mol
단동위원소 질량	278.18819469 g/mol
SMILES	CCCCCCCC(=O)CCc1ccc(O)c(OC)c1
InChIKey	CZNLTCTYLMYLHL-UHFFFAOYSA-N
PubChem CID	94378
ChEMBL	CHEMBL2071440
ChEBI	CHEBI:10137
EC No.	248-228-1
DTXSID	DTXSID90181574
현지명	1-(4-하이드록시-3-메톡시페닐)데칸-5-온

화학 및 물리적 성질

XLogP	3.8
극성 표면적	46.5
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	10
무거운 원자 수	20
형식 전하	0
복잡도	265
식품 첨가물	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
향미제	EU Flavoring substances
용해도	Practically insoluble or insoluble in waterSoluble (in ethanol)클로로포름(약간 용해됨), 메탄올(약간 용해됨)
Endocrine Disruptors	Potential endocrine disrupting compound
끓는 점	406.00 to 408.00 °C. @ 760.00 mm Hg406.4±30.0 °C(Predicted)
녹는점	31 - 32 °C
Physical Description	SolidWhite powderSpicy herbal aroma
밀도	1.0690 g/cm3
굴절률	1.5232 (589.3 nm 20℃)
FEMA	4665 \| 1-(4-HYDROXY-3-METHOXYPHENYL)DECAN-3-ONE
저장 조건	Sealed in dry,Room Temperature
물리적 상태	고체
pKa(산도 계수)	10.02±0.20(Predicted)
색상	흰색에서 갈색으로
냄새	매운 허브
향취 유형	매운
JECFA Number	2021
주요 응용	음식 및 음료제약
화장품 원료 기능	피부 컨디셔닝
InChI	InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3
InChIKey	CZNLTCTYLMYLHL-UHFFFAOYSA-N
SMILES	C(C1=CC=C(O)C(OC)=C1)CC(=O)CCCCCCC
LogP(분배 계수)	3.83

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 77.4% (89 of 115) of all reports.WarningH317 (22.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 115 reports by companies from 2 notifications to the ECHA C&L Inventory.
규제 정보	Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Sens. 1 (22.6%)
수질 위해 등급(WGK)	WGK 2
저장 분류	11 - Combustible Solids

용도

Paradol is a Gingerol related compound from ginger with antioxidant activity and cancer preventive properties.