Dihydrochalcone

Dihydrochalcone · 1,3-Diphenylpropan-1-one · 3-PHENYLPROPIOPHENONE · 1,3-Diphenyl-1-oxopropane · BENZYL ACETOPHENONE · 1,3-DIPHENYL-1-PROPANONE · Hydrochalcone · ihydrochalcone

https://huagongshe.com/ko/chemical/64802

식별자 및 물리적 특성

CAS No.	1083-30-3
분자식	C15H14O
평균 분자량	210.27 g/mol
단동위원소 질량	210.10446507 g/mol
SMILES	O=C(CCc1ccccc1)c1ccccc1
InChIKey	QGGZBXOADPVUPN-UHFFFAOYSA-N
PubChem CID	64802
ChEMBL	CHEMBL490143
ChEBI	CHEBI:71231
EC No.	621-467-2
DTXSID	DTXSID7061481

화학 및 물리적 성질

XLogP	3.5
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	4
무거운 원자 수	16
형식 전하	0
복잡도	209
지질	Polyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
SpringerMaterials Properties	Density
녹는점	72 - 73 °C70-72°C
Physical Description	Solid
끓는 점	145-150 °C(Press: 7 Torr)
밀도	1.0614 g/cm3(Temp: 23 °C)
저장 조건	Sealed in dry,Room Temperature
용해도	톨루엔에 용해됨
물리적 상태	powder to crystal
색상	흰색에서 밝은 노란색
용해도	물에 불용성.
BRN	1910661
InChIKey	QGGZBXOADPVUPN-UHFFFAOYSA-N
LogP(분배 계수)	3.830 (est)
EPA	1-Propanone, 1,3-diphenyl- (1083-30-3)

화학적 성질

White crystals or crystalline powder or flakes.M.P. 73℃. Practically insoluble in water, soluble in alcohol and oils. Mild and sweet, balsamic-floral odor of excellent tenacity.

안전 및 규제

GHS 분류	WarningH319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Eye Irrit. 2A (97.5%)
TSCA 등재 상태	TSCA listed
관세 코드	2914.39.9000
안전 문구(S)	22-24/25

용도

3-Phenylpropiophenone is a potential antioxidant, found in fruit extracts, and is synthesized as a part of last stage applications to natural products and pharmaceuticals.