2',4'-Dihydroxy-3'-propylacetophenone

HCID 2775198

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 40786-69-4
표준 SMILES: CCCc1c(O)ccc(C(C)=O)c1O
InChIKey: QGGRBWUQXAFYEC-UHFFFAOYSA-N
분자식: C11H14O3
평균 분자량: 194.23 g/mol
단동위원소 질량: 194.09429431

이름 및 식별자

우선 이름: 2',4'-Dihydroxy-3'-propylacetophenone
IUPAC: 1-(2,4-dihydroxy-3-propylphenyl)ethanone
영어명: 2',4'-Dihydroxy-3'-propylacetophenone
분자식: C11H14O3
분자량: 194.23

이름 및 동의어

2',4'-DIHYDROXY-3'-PROPYLACETOPHENONERefChem:439424627-597-640786-69-41-(2,4-dihydroxy-3-propylphenyl)ethanone1-(2,4-Dihydroxy-3-propylphenyl)ethan-1-oneMFCD000686162,4-Dihydroxy-3-PropylacetophenoneEthanone, 1-(2,4-dihydroxy-3-propylphenyl)-1-[2,4-dihydroxy-3-propylphenyl)ethanoneEthanone,1-(2,4-dihydroxy-3-propylphenyl)-1-(2,4-dihydroxy-3-propyl-phenyl)ethanone

이름 더 보기

4-dihydroxy-3-propylphenyl)-Dihydroxy-3'-Propylacetophenone2',4'-Dihydroxy-3'-pyopylacetophene(2,4-Dihydroxy-3-n-propylphenyl)ethanone2,2-dihydroxy-1-(3-propylphenyl)ethanone2',4'-DIHYDROXY-3'-PROPYLACETOPHENONE, 9 9%

SCHEMBL480388SCHEMBL6932259SCHEMBL30736074DTXSID80379448QGGRBWUQXAFYEC-UHFFFAOYSA-N2',4'-dihydroxy-3'-propyl aceCS-M09272,4-di-hydroxy-3-propylacetophenone

데이터베이스 식별자

CAS: 40786-69-4
PubChem CID: 2775198
DTXSID: DTXSID80379448
EC Number: 627-597-6
Nikkaji: J282.497C

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 57.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 203

물리화학적 성질

녹는점: 124 · 124-127 °C (lit.)
끓는 점: 361 · 361.0±12.0 °C(Predicted)
밀도: 1.162 · 1.162±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 8.49 · 8.49±0.23(Predicted)
색상: 연한 갈색
InChI: 1S/C11H14O3/c1-3-4-9-10(13)6-5-8(7(2)12)11(9)14/h5-6,13-14H,3-4H2,1-2H3
InChIKey: QGGRBWUQXAFYEC-UHFFFAOYSA-N
SMILES: CCCc1c(O)ccc(C(C)=O)c1O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2914500090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도1-(2,4-Dihydroxy-3-propylphenyl)ethanone is a reactant used in the synthesis of 2’-hydroxychalcones which affect cell growth inihibition , initiates apoptosis in human tumor cell lines.