3,5-다이메틸-2-사이클로헥센-1-온

3,5-Dimethylcyclohex-2-en-1-one

HCID 14291CAS 1123-09-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1=CC(=O)CC(C)C1
InChIKey: NOQKKFBBAODEHN-UHFFFAOYSA-N
분자식: C8H12O
평균 분자량: 124.18 g/mol
단동위원소 질량: 124.088815

이름 및 식별자

우선 이름: 3,5-Dimethylcyclohex-2-en-1-one
IUPAC: 3,5-dimethylcyclohex-2-en-1-one
현지명: 3,5-다이메틸-2-사이클로헥센-1-온
영어명: 3,5-Dimethyl-2-cyclohexen-1-one
분자식: C8H12O
분자량: 124.18

이름 및 동의어

3,5-Dimethyl-2-cyclohexen-1-one1123-09-73,5-Dimethylcyclohex-2-en-1-one2-Cyclohexen-1-one, 3,5-dimethyl-EINECS 214-369-2AI3-21772DTXSID20870848NSC 845NSC 10113RefChem:487025DTXCID70818533214-369-2

이름 더 보기

3,5-다이메틸-2-사이클로헥센-1-온3,5-디메틸-2-시클로헥센-1-온3,5-다이메틸-2-사이클로헥센-1-온(3,5-DIMETHYL-2-CYCLOHEXEN-1-ONE)3,5-diMethylcyclohex-2-enone3,5-Dimethyl-2-cyclohexen-1-on3,5-Dimethyl-2-cyclohexen-1-one,99%

MFCD000015832-Cyclohexen-1-one,5-dimethyl-NSC8453,5-Dimethyl-2-cyclohexene-1-one3,5-dimethylcyclohexenone3,5-dimethyl-2-cyclohexenoneSCHEMBL1042381NSC-845

데이터베이스 식별자

CAS: 1123-09-7
PubChem CID: 14291
DTXSID: DTXSID20870848
EC Number: 214-369-2
Nikkaji: J112.662H

물성

구조 계산 물성

XLogP: 1.2
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: 156

물리화학적 성질

녹는점: 166 °C · 166 °C(Solv: ethanol (64-17-5))
끓는 점: 211 · 211-212 °C (lit.)
밀도: 0.881 g/mL · 0.881 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.483(lit.)
인화점: 175 °F · 175 °F
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 무색~담황색
InChI: InChI=1S/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3
InChIKey: NOQKKFBBAODEHN-UHFFFAOYSA-N
SMILES: C1(=O)CC(C)CC(C)=C1
LogP: 1.141 · 1.141 (est)
NIST: 2 · 2-Cyclohexen-1-one, 3,5-dimethyl-(1123-09-7)

화학적 성질

CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.