Heptanophenone

Hexyl Phenyl Ketone · ENANTHOPHENONE · Heptanophenone · phenylheptanone · N-HEPTANOPHENONE · Heptanophenone>Heptanophenone 98% · 1-phenyl-1-heptanon · 1-PHENYL-1-HEPTANONE

https://huagongshe.com/ko/chemical/74282

식별자 및 물리적 특성

CAS No.	1671-75-6
분자식	C13H18O
평균 분자량	190.28 g/mol
단동위원소 질량	190.1357652 g/mol
SMILES	CCCCCCC(=O)c1ccccc1
InChIKey	UXMQORVHJMUQFD-UHFFFAOYSA-N
PubChem CID	74282
ChEMBL	CHEMBL3184477
ChEBI	CHEBI:167824
EC No.	216-802-0
DTXSID	DTXSID9048194

화학 및 물리적 성질

XLogP	4.1
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	6
무거운 원자 수	14
형식 전하	0
복잡도	157
SpringerMaterials Properties	Boiling point
녹는점	17 °C (lit.)
끓는 점	155 °C/15 mmHg (lit.)
밀도	0.946 g/mL at 25 °C (lit.)
굴절률	n20/D 1.5077(lit.)
인화점	>230 °F
저장 조건	Storage temp. 2-8°C
물리적 상태	액체
색상	약간 노란색에서 노란색으로 맑음
BRN	1865692
InChI	InChI=1S/C13H18O/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChIKey	UXMQORVHJMUQFD-UHFFFAOYSA-N
SMILES	C(C1=CC=CC=C1)(=O)CCCCCC
EPA	Heptanophenone (1671-75-6)

화학적 성질

clear slightly yellow to yellow liquid

안전 및 규제

GHS 분류	WarningH315 (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 77 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	29143900
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-37/39
저장 분류	10 - Combustible liquids

용도

Heptanophenone was employed as test compound to compare the kinetic performance of monolithic and fused-core capillary C(18) columns in isocratic-elution liquid chromatography.

일반 설명

Heptanophenone is an alkyl phenyl ketone and its inhibitory effect on carbonyl reductase activity in pig heart has been examined.