Methyl isoeugenol

HCID 7128CAS 93-16-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CC=Cc1ccc(OC)c(OC)c1
InChIKey: NNWHUJCUHAELCL-UHFFFAOYSA-N
分子式: C11H14O2
平均分子量: 178.23 g/mol
単同位体質量: 178.09937969

概要

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

名称と識別子

優先名称: Methyl isoeugenol
IUPAC: 1,2-dimethoxy-4-prop-1-enylbenzene

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.5
極性表面積: 18.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 165

実験および物理化学的性質

Density1.047-1.053

Solubility · 2 件

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

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

Regulatory Information · 3 件

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 · 2 件

Not Classified

Carcinogenicity - category 2

化学と産業

用途と製造

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

Use Classification · 3 件

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index