Dihydrochalcone

HCID 64802CAS 1083-30-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(CCc1ccccc1)c1ccccc1
InChIKey
QGGZBXOADPVUPN-UHFFFAOYSA-N
분자식
C15H14O
평균 분자량
210.27 g/mol
단동위원소 질량
210.10446507

개요

Dihydrochalcone is a member of the class of dihydrochalcones that is acetophenone in which one of the hydrogens of the methyl group is replaced by a benzyl group. It has a role as a plant metabolite.

이름 및 식별자

우선 이름
Dihydrochalcone
IUPAC
1,3-diphenylpropan-1-one
영어명
BETA-PHENYLPROPIOPHENONE
분자식
C15H14O
분자량
210.27

이름 및 동의어

1,3-diphenylpropan-1-oneDihydrochalcone1083-30-33-Phenylpropiophenonebeta-PhenylpropiophenoneHydrochalconeHydrocinnamophenone1,3-Diphenyl-1-oxopropane1-Propanone, 1,3-diphenyl-H5W525SX7QCHEBI:71231NSC-12245
이름 더 보기
BENZYL ACETOPHENONEihydrochalconeβ-Phenylpropiophenone
DTXSID7061481RefChem:133754DTXCID7033109621-467-21,3-Diphenyl-1-propanoneBenzylacetophenonePhenethyl phenyl ketonePhenyl phenethyl ketone

데이터베이스 식별자

CAS
1083-30-3
PubChem CID
64802
DTXSID
DTXSID7061481
ChEMBL
CHEMBL490143、CHEMBL490512
ChEBI
CHEBI:71231
UNII
H5W525SX7Q
EC Number
621-467-2
Nikkaji
J254.530F

물성

구조 계산 물성

XLogP
3.5
극성 표면적
17.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
4
무거운 원자 수
16

실험 및 물리화학적 성질

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
SpringerMaterials PropertiesDensity
Melting Point72 - 73 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
70 · 70-72°C
끓는 점
145 · 145-150 °C(Press: 7 Torr)
밀도
1.0614 g/cm3 · 1.0614 g/cm3(Temp: 23 °C)
저장 조건
Sealed in dry,Room Temperature
용해도
톨루엔에 용해됨
물리적 상태
powder to crystal

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

GHS Classification · 4건

Warning

H319 (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.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2A (97.5%)

안전 데이터

tsca
TSCA listed
HS 번호
2914.39.9000
safety_code
22-24/25

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

General Manufacturing Information1-Propanone, 1,3-diphenyl-: INACTIVE

응용 분야

용도3-Phenylpropiophenone is a potential antioxidant, found in fruit extracts, and is synthesized as a part of last stage applications to natural products and pharmaceuticals.

상·하류 제품 정보

하류 제품

공급사50 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

추가 설명

정의ChEBI: A member of the class of dihydrochalcones that is acetophenone in which one of the hydrogens of the methyl group is replaced by a benzyl group.

관련 반응

16건
반응 기록 만들기

연결된 노트

불러오는 중…