1-(4-Cyclohexylphenyl)ethan-1-one

HCID 87715

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 18594-05-3
표준 SMILES: CC(=O)c1ccc(C2CCCCC2)cc1
InChIKey: MSDQNIRGPBARGC-UHFFFAOYSA-N
분자식: C14H18O
평균 분자량: 202.29 g/mol
단동위원소 질량: 202.13576519

이름 및 식별자

우선 이름: 1-(4-Cyclohexylphenyl)ethan-1-one
IUPAC: 1-(4-cyclohexylphenyl)ethanone
영어명: 4'-CYCLOHEXYLACETOPHENONE
분자식: C14H18O
분자량: 202.29

이름 및 동의어

18594-05-31-(4-Cyclohexylphenyl)ethanone1-(4-Cyclohexylphenyl)ethan-1-oneEthanone, 1-(4-cyclohexylphenyl)-EINECS 242-432-4MSDQNIRGPBARGC-UHFFFAOYSA-DTXSID70171817RefChem:425367DTXCID6094308242-432-4InChI=1/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H34'-Cyclohexylacetophenone

이름 더 보기

CyclohexylacetophenoneLABOTEST-BB LT000001224-cyclohexylbenzenethyloneP-cyclo hexanylacetophenone4'-Cyclohexylacetophenone >4'-Cyclohexylacetophenone 98%4-CyclohexylacetophenonebyEMKA

4-CyclohexylacetophenoneMFCD000014531-acetyl-4-cyclohexylbenzeneSCHEMBL9671331-(4-cyclohexylphenyl)-ethanone1-(4-cyclohexyl-phenyl)-ethanone1-(4-Cyclohexylphenyl)ethanone #p-cyclohexylacetophenone

데이터베이스 식별자

CAS: 18594-05-3
PubChem CID: 87715
DTXSID: DTXSID70171817
EC Number: 242-432-4
Nikkaji: J132.621J

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 207

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical structure

물리화학적 성질

녹는점: 68 · 68-70 °C(lit.)
끓는 점: 179 · 179-181 °C14 mm Hg(lit.)
밀도: 0.9655 · 0.9655 (rough estimate)
굴절률: 1.5397 · 1.5397 (estimate)
인화점: 179 · 179-181°C/14mm
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
색상: White to Light yellow to Light orange
BRN: 1962365 · 1962365
InChI: 1S/C14H18O/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3
InChIKey: MSDQNIRGPBARGC-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(cc1)C2CCCCC2
LogP: 4.18 · 4.180 (est)

화학적 성질

white to yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Warning

H315 (97.6%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationEthanone, 1-(4-cyclohexylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

안전 데이터

wgk: 3
HS 번호: 29143900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

일반 설명Antimycobacterial activity of 4-cyclohexylacetophenone was studied. The tricarbonylchromium complexes of 4-cyclohexylacetophenone were prepared and spectral properties were studied.