1-(4-하이드록시-3-메톡시페닐)데칸-5-온

Paradol

HCID 94378CAS 27113-22-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCCCCC(=O)CCc1ccc(O)c(OC)c1
InChIKey: CZNLTCTYLMYLHL-UHFFFAOYSA-N
분자식: C17H26O3
평균 분자량: 278.4 g/mol
단동위원소 질량: 278.18819469

개요

[6]-Paradol is a ketone, a monomethoxybenzene and a member of phenols.

이름 및 식별자

우선 이름: Paradol
IUPAC: 1-(4-hydroxy-3-methoxyphenyl)decan-3-one
현지명: 1-(4-하이드록시-3-메톡시페닐)데칸-5-온
영어명: 1-(4-hydroxy-3-methoxyphenyl)decan-5-one
분자식: C17H26O3
분자량: 278.39

이름 및 동의어

Paradol27113-22-06-Paradol1-(4-hydroxy-3-methoxyphenyl)decan-3-one5-Paradol[6]-GingeroneBO24ID7E9UFEMA NO. 4665Heptyl 4-hydroxy-3-methoxyphenethyl ketoneDTXSID901815741-(4-hydroxy-3-methoxyphenyl)-decan-3-one(6)-GINGERONE

이름 더 보기

1-(4-하이드록시-3-메톡시페닐)데칸-5-온1-(4-Hydroxy-3-methoxyphenyl)-3-decanone6-Paradol 98%ParadoCcris 8519Brn 1984119

1-(4'-hydroxy-3'-methoxyphenyl)-3-decanoneRefChem:425652DTXCID30104065248-228-1[6]-Paradol1-(4-Hydroxy-3-methoxyphenyl)decan-5-one3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-(6)-PARADOL

데이터베이스 식별자

CAS: 27113-22-0
PubChem CID: 94378
DTXSID: DTXSID90181574
ChEMBL: CHEMBL2071440
ChEBI: CHEBI:10137
UNII: BO24ID7E9U
EC Number: 248-228-1
Nikkaji: J129.700G

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 10
무거운 원자 수: 20
형식 전하: 0
복잡도: 265

실험 및 물리화학적 성질

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Flavoring AgentsEU Flavoring substances

Solubility · 2건

Practically insoluble or insoluble in water

Soluble (in ethanol)

Endocrine DisruptorsPotential endocrine disrupting compound

Boiling Point406.00 to 408.00 °C. @ 760.00 mm Hg

Melting Point31 - 32 °C

물리화학적 성질

끓는 점: 406.4 · 406.4±30.0 °C(Predicted)
밀도: 1.069 g/cm3 · 1.0690 g/cm3
굴절률: 1.5232 · 1.5232 (589.3 nm 20℃)
FEMA: 4665 · 4665 | 1-(4-HYDROXY-3-METHOXYPHENYL)DECAN-3-ONE
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 10.02 · 10.02±0.20(Predicted)
색상: 흰색에서 갈색으로
냄새: 매운 허브
냄새 유형: 매운
JECFA Number: 2021 · 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: 3.83 · 3.83

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 77.4% (89 of 115) of all reports.

Warning

H317 (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.

유해성 정보

Regulatory Information · 2건

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 CategoriesSkin Sens. 1 (22.6%)

안전 데이터

wgk: WGK 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

응용 분야

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

상·하류 제품 정보

상류 원료

공급사50 곳

成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

山西玉宁生物科技有限公司13623677056

Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]

广东恒添生物科技有限公司15603008518 · [email protected]

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