디메틸시클로헥산온(2,6-)

2,6-Dimethylcyclohexanone

HCID 17780CAS 2816-57-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1CCCC(C)C1=O
InChIKey: AILVYPLQKCQNJC-UHFFFAOYSA-N
분자식: C8H14O
평균 분자량: 126.2 g/mol
단동위원소 질량: 126.10446507

개요

2,6-dimethylcyclohexanone is an organic molecular entity.

이름 및 식별자

우선 이름: 2,6-Dimethylcyclohexanone
IUPAC: 2,6-dimethylcyclohexan-1-one
현지명: 디메틸시클로헥산온(2,6-)
영어명: 2,5-Dimethylcyclohexanone
분자식: C8H14O
분자량: 126.2

이름 및 동의어

2,6-DIMETHYLCYCLOHEXANONE2816-57-12,6-Dimethylcyclohexan-1-oneCyclohexanone, 2,6-dimethyl-EINECS 220-570-6NSC 52912,6-Dimethylcyclohexanone cis + trans2,6-Dimethylcyclohexanone,c&tDTXSID30863029RefChem:83314DTXCID80811712Cyclohexanone, 2,6-dimethyl-(8CI)

이름 더 보기

디메틸시클로헥산온(2,6-)2,6-다이메틸사이클로헥산온2,6-dimethylcyclohexanon2,5-Dimethylcyclohexanone2,6-Dimethyl-1-cyclohexanone2,6-Dimethylcyclohexanone 2,6-Dimethylcyclohexanone cis + trans2,6-Dimethylcyclohexanone (cis/trans-mixture)

Cyclohexanone, 2,6-dimethyl-(8CI)(9CI)220-570-6AILVYPLQKCQNJC-UHFFFAOYSA-N2,6-dimethyl cyclohexanoneMFCD00001637NSC52912,6-dimethyl-cyclohexanoneNSC-5291

데이터베이스 식별자

CAS: 2816-57-1
PubChem CID: 17780
DTXSID: DTXSID30863029
ChEBI: CHEBI:234093
EC Number: 220-570-6
Nikkaji: J46.525I

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 106

물리화학적 성질

녹는점: 9.25 °C · 9.25°C (estimate)
끓는 점: 174 · 174-176 °C(lit.)
밀도: 0.925 g/mL · 0.925 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.447(lit.)
인화점: 124 °F · 124 °F
저장 조건: Flammables area
물리적 상태: 투명한 액체
색상: 무색~연황색
BRN: 1099000 · 1099000
InChI: 1S/C8H14O/c1-6-4-3-5-7(2)8(6)9/h6-7H,3-5H2,1-2H3
InChIKey: AILVYPLQKCQNJC-UHFFFAOYSA-N
SMILES: CC1CCCC(C)C1=O

화학적 성질

Clear colourless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 1224 3/PG 3
HS 번호: 29142900
risk_code: 10
safety_code: 16
포장분류: III
위험 등급: 3
Hazard Classifications: Flam. Liq. 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도2,6-Dimethylcyclohexanone was used in tetraoxane synthesis and in evaluation of their anti-malarial activity.

일반 설명2,6-Dimethylcyclohexanone, mixture of isomers is a clear, light yellow liquid. The adsorption of traces of 2,6-dimethylcyclohexanone, a volatile organic compound, from liquid toluene was studied. cis- and trans-isomers of 2,6-Dimethylcyclohexanonereacts with hydroxylamine hydrochloride and potassium hydroxide in methanol solution gives cis- and trans-dimethylcyclohexanone oxime .