2,5,6-트리메틸시클로헥스-2-엔-1-온

2-Cyclohexen-1-one, 2,5,6-trimethyl-

HCID 89264CAS 20030-30-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1=CCC(C)C(C)C1=O
InChIKey: QAQCUBLNHBKTRM-UHFFFAOYSA-N
분자식: C9H14O
평균 분자량: 138.21 g/mol
단동위원소 질량: 138.10446507

이름 및 식별자

우선 이름: 2-Cyclohexen-1-one, 2,5,6-trimethyl-
IUPAC: 2,5,6-trimethylcyclohex-2-en-1-one
현지명: 2,5,6-트리메틸시클로헥스-2-엔-1-온
영어명: 2,5,6-trimethylcyclohex-2-en-1-one
분자식: C9H14O
분자량: 138.21

이름 및 동의어

2,5,6-Trimethylcyclohex-2-en-1-one20030-30-22-Cyclohexen-1-one, 2,5,6-trimethyl-2,5,6-Trimethyl-2-cyclohexen-1-oneEINECS 243-473-0DTXSID80885110EC 243-473-0RefChem:470847DTXCID801024512243-473-0SCHEMBL36791112,3,6-trimethylcyclohex-5-en-1-one

이름 더 보기

2,5,6-트리메틸시클로헥스-2-엔-1-온2,5,6-TRIMETHYL-2-CYCLOHEXENONE2,3,6-Trimethylcyclohexen-1-onTRIMETHYL-(2,5,6)-CYCLOHEX-2-EN-1-ON

2,3,6-trimethyl-cyclohex-5-en-1-one2,5,6-trimethyl-cyclohex-2-en-1-one2,5,6-trimethylcyclohex-2-en- 1-oneNS00009431

데이터베이스 식별자

CAS: 20030-30-2
PubChem CID: 89264
DTXSID: DTXSID80885110
EC Number: 243-473-0
Nikkaji: J280.425E

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 179

실험 및 물리화학적 성질

SpringerMaterials PropertiesBoiling point

물리화학적 성질

화장품 원료 기능: 향수
LogP: 1.676 · 1.676 (est)
EPA: 2 · 2-Cyclohexen-1-one, 2,5,6-trimethyl- (20030-30-2)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (64.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P302+P352, P303+P361+P353, P321, P330, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 364 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.