Cyclohexanone, 4,4-dimethyl-

HCID 138166CAS 4255-62-3

기본 정보

표준 SMILES: CC1(C)CCC(=O)CC1
InChIKey: PXQMSTLNSHMSJB-UHFFFAOYSA-N
분자식: C8H14O
평균 분자량: 126.2 g/mol
단동위원소 질량: 126.10446507

이름 및 식별자

우선 이름: Cyclohexanone, 4,4-dimethyl-
IUPAC: 4,4-dimethylcyclohexan-1-one
영어명: 4 4-Dimethylcyclohexanone 97
분자식: C8H14O
분자량: 126.2

이름 및 동의어

4,4-Dimethylcyclohexanone4255-62-3Cyclohexanone, 4,4-dimethyl-DTXSID30195337RefChem:580736DTXCID40117828626-769-84,4-dimethylcyclohexan-1-oneMFCD002349654,4-dimethyl-cyclohexanone4.4-dimethylcyclohexanoneSCHEMBL307642

이름 더 보기

BB_SC-5119BAS 087481904,4-Dimethylcyclohexanone>4,4-Dimethylcyclohexanone 97%1,1-Dimethyl-4-oxocyclohexane4,4-dimethylcyclohexane-1-one4 4-Dimethylcyclohexanone 97

4,4-dimethyl-cyclohexan-1-oneAKOS005255849HY-W002564SB405364,4-Dimethylcyclohexanone(Chunks or pellets)4 4-dimethylcyclohexanoneF9994-07064,4-dimethyl-1-cyclohexanone

데이터베이스 식별자

CAS: 4255-62-3
PubChem CID: 138166
DTXSID: DTXSID30195337
EC Number: 626-769-8
Nikkaji: J975.576D

물성

구조 계산 물성

XLogP: 1.6
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: 113

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 41 · 41-45 °C
끓는 점: 105 · 105-106℃ (80 Torr)
밀도: 0.892 · 0.892±0.06 g/cm3 (20 ºC 760 Torr)
굴절률: 1.46442 · 1.46442 (22.45℃)
인화점: 137 °F · 137 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 물에 불용성.
InChI: InChI=1S/C8H14O/c1-8(2)5-3-7(9)4-6-8/h3-6H2,1-2H3
InChIKey: PXQMSTLNSHMSJB-UHFFFAOYSA-N
SMILES: C1(=O)CCC(C)(C)CC1

화학적 성질

Colorless crystal

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Danger

H228 (93.2%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P264+P265, P280, P305+P351+P338, P337+P317, and P370+P378 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Sol. 1 (93.2%)

안전 데이터

wgk: 2
ridadr: UN 1325 4.1/PG 2
HS 번호: 29142990
risk_code: 11-36
hazard_code: F,Xi
safety_code: 16-26-24/25
포장분류: Ⅱ
위험 등급: 4.1
Hazard Classifications: Eye Irrit. 2Flam. Sol. 1
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

응용 분야

용도4,4-Dimethylcyclohexanone is used as a pharmaceutical intermediate.

상·하류 제품 정보

상류 원료

4,4-디메틸피멜산디에틸에스테르 3,3-디메틸-1,4-펜타디엔 2-Oxepanone, 5,5-dimethyl-4,4-다이메틸-2-사이클로헥센-1-온 트리에틸렌디아민

하류 제품

2-Cyclohexen-1-ol, 4,4-dimethyl-3,3-디메틸시클로헥사논 4,4-디메틸사이클로헥센-1-일보론산 Cyclohexaneacetic acid, 4,4-dimethyl-, methyl ester Benzoic acid, 4-[4-[(5,5-dimethyl-2-oxocyclohexyl)methyl]-1-piperazinyl]-, 1,1-dimethylethyl ester 4,4-Dimethyl-2-(2-oxopropyl)cyclohexan-1-one Cyclohexanone, 2-acetyl-4,4-dimethyl-

공급사50 곳

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