Methyl isoeugenol

HCID 7128CAS 93-16-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC=Cc1ccc(OC)c(OC)c1
InChIKey: NNWHUJCUHAELCL-UHFFFAOYSA-N
분자식: C11H14O2
평균 분자량: 178.23 g/mol
단동위원소 질량: 178.09937969

개요

isomethyleugenol has been reported in Nicotiana bonariensis, Solidago odora, and other organisms with data available.

이름 및 식별자

우선 이름: Methyl isoeugenol
IUPAC: 1,2-dimethoxy-4-prop-1-enylbenzene

이름 및 동의어

Methyl isoeugenol4-Prop-1-enylveratrole1,2-dimethoxy-4-prop-1-enylbenzeneDTXSID00526211,2-DIMETHOXY-4-(1-PROPENYL)BENZENE46RN7Q97DEDTXCID4031194NSC-46111RefChem:1089583202-224-693-16-31,2-Dimethoxy-4-propenylbenzene

이름 더 보기

MFCD000092821,2-dimethoxy-4-(prop-1-en-1-yl)benzenecis-O-Methylisoeugenol1,2-Dimethoxy-4-(1-propen-1-yl)benzeneBenzene, 1,2-dimethoxy-4-(1Z)-1-propenyl-1,2-Dimethoxy-4-(1-propenyl)-benzene1,2-dimethoxy-4-prop-1-enyl-benzeneTrans -Methyl isoeugenol

데이터베이스 식별자

CAS: 93-16-3
PubChem CID: 7128
DTXSID: DTXSID0052621
EC Number: 202-224-6

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 165

실험 및 물리화학적 성질

Density1.047-1.053

Solubility · 2건

Insoluble in glycerine and propylene glycol; soluble in most fixed oils

soluble (in ethanol)

Boiling Point262-264 °C

Refractive Index1.566-1.569

Physical Descriptioncolourless to pale yellow liquid; delicate, clove-carnation aroma

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 95.5% (1634 of 1711) of all reports.

Not Classified

Aggregated GHS information provided per 1711 reports by companies from 6 notifications to the ECHA C&L Inventory.

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P203, P261, P272, P280, P302+P352, P318, P321, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 3건

Chemical: Benzene, 1,2-dimethoxy-4-(1-propenyl)-

Regulation (EC) No 1831/2003 (amended)

Benzene, 1,2-dimethoxy-4-(1-propenyl)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Isoeugenol ethers: Human health tier II assessment

Hazard Classes and Categories · 2건

Not Classified

Carcinogenicity - category 2

화학 및 산업

용도 및 제조

Household ProductsInformation on 7 consumer products that contain Methyl Isoeugenol in the following categories is provided:

Use Classification · 3건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index