2-이소부티릴시클로헥사논

2-(2-Methylpropanoyl)cyclohexan-1-one

HCID 11469301

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 39207-65-3
표준 SMILES: CC(C)C(=O)C1CCCCC1=O
InChIKey: PFOYYSGBGILOQZ-UHFFFAOYSA-N
분자식: C10H16O2
평균 분자량: 168.23 g/mol
단동위원소 질량: 168.11502975

이름 및 식별자

우선 이름: 2-(2-Methylpropanoyl)cyclohexan-1-one
IUPAC: 2-(2-methylpropanoyl)cyclohexan-1-one
현지명: 2-이소부티릴시클로헥사논
영어명: 2-Isobutyrylcyclohexanone
분자식: C10H16O2
분자량: 168.23

이름 및 동의어

2-(2-methylpropanoyl)cyclohexan-1-oneRefChem:454237628-199-52-Isobutyrylcyclohexanone39207-65-32-(2-Methyl-1-oxopropyl)cyclohexanoneMFCD004661852-Isobutyrylcyclohexan-1-oneCyclohexanone, 2-(2-methyl-1-oxopropyl)-2-(2-methylpropanoyl)cyclohexanoneSC11822SCHEMBL900888

이름 더 보기

2-이소부티릴시클로헥사논2-ISOBYTYRYLCYCLOHEXANONE2-isobutylacylcyclohexylone2-Isobutyrylcyclohexanone 96%2-Isobutyrylcyclohexanone(~96% enol form)

2-Isobutyrylcyclohexanone, 96%AKOS012624058BP-21288EN300-11267962-Isobutyrylcyclohexanone, 96% (~96% enol form)2-(2-Methyl-1-oxopropyl)cyclohexanone; 2-(2-Methylpropanoyl)cyclohexan-1-one; 2-(2-Methylpropanoyl)cyclohexanone2-Isobutyrylcyclohex2-isobutyryl cyclohexanone

데이터베이스 식별자

CAS: 39207-65-3
PubChem CID: 11469301
DTXSID: DTXSID90466818
EC Number: 628-199-5
Nikkaji: J2.453.364F

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 34.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 194

물리화학적 성질

녹는점: 38 °C · 38°C
끓는 점: 266 ℃ · 266℃
밀도: 1.0076 g/mL · 1.0076 g/mL at 25 °C
굴절률: 20 · n20/D 1.5006
인화점: 104 °C · 104 °C
저장 조건: Sealed in dry,Room Temperature
용해도: 에 용해됨클로로포름, 메탄올 (약간 용해됨)
물리적 상태: 액체
산도 계수 (pKa): 10.83 · 10.83±0.20(Predicted)
색상: 무색의
InChI: InChI=1S/C10H16O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h7-8H,3-6H2,1-2H3
InChIKey: PFOYYSGBGILOQZ-UHFFFAOYSA-N
SMILES: C1(=O)CCCCC1C(=O)C(C)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.