6-Methylhepta-3,5-dien-2-one

HCID 27971CAS 1604-28-0

부분 구조 검색 유사 구조 찾기

기본 정보

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

개요

See also: 6-Methyl-3,5-heptadien-2-one (annotation moved to).

이름 및 식별자

우선 이름: 6-Methylhepta-3,5-dien-2-one
IUPAC: 6-methylhepta-3,5-dien-2-one

이름 및 동의어

DTXSID7051761RefChem:543988DTXCID60303166-METHYLHEPTA-3,5-DIEN-2-ONE6-Methyl-3,5-heptadienonSCHEMBL873403orb31799946-methyl-hept-3,5-diene-2-oneRAA6470429178-96-9NS00012898

데이터베이스 식별자

CAS: 1604-28-0
PubChem CID: 27971
DTXSID: DTXSID7051761
EC Number: 216-507-7

물성

구조 계산 물성

XLogP: 2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 148

실험 및 물리화학적 성질

Density0.895-0.899

Flavoring AgentsEU Flavoring substances

Solubility · 2건

almost insoluble in water; soluble in oils

Miscible at room temperature (in ethanol)

Boiling Point190 °C

Refractive Index1.528-1.537

Physical DescriptionColourless to pale yellow oily liquid; cinnamon-like odour with a coconut undertone

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1609 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.