(E)-2-ノネン酸メチル

Methyl 2-nonenoate

HCID 5368076CAS 111-79-5
部分構造検索類似構造を探す

基本情報

標準SMILES
CCCCCC/C=C/C(=O)OC
InChIKey
ZWNPUELCBZVMDA-CMDGGOBGSA-N
分子式
C10H18O2
平均分子量
170.25 g/mol
単同位体質量
170.13067982

概要

Methyl 2-nonenoate is a fatty acid ester.

名称と識別子

優先名称
Methyl 2-nonenoate
IUPAC
methyl (E)-non-2-enoate
現地名
(E)-2-ノネン酸メチル
英語名
(2E)-2-Nonenoic acid methyl ester
分子式
C10H18O2
分子量
170.25

名称と別名

Methyl non-2-enoateMethyl 2-nonenoate111-79-5Methyl trans-2-nonenoateMelon nonenoate2-NONENOIC ACID, METHYL ESTER2-Nonenoic acid, methyl ester, (2E)-FEMA No. 27252-Nonenoic acid, methyl ester, (E)-J9XX5Y92112-Nonenoic acid, methyl ester, trans-NSC-76416
名称をさらに表示
(E)-2-ノネン酸メチル(2E)-2-ノネン酸メチルメチル (2E)-ノナ-2-エノアートmethyl (E)-2-nonenoateZWNPUELCBZVMDA-CMDGGOBGSA-N(E)-2-Nonenoic acid methyl ester(2E)-2-Nonenoic acid methyl ester
DTXSID8047638RefChem:925654DTXCID6027638203-908-7methyl (2Z)-non-2-enoate14952-06-8methyl (E)-non-2-enoatemethyl (2E)-non-2-enoate

データベース識別子

CAS
111-79-5、14952-06-8、37822-76-7
PubChem CID
5368076
DTXSID
DTXSID3047637
ChEMBL
CHEMBL3184812
ChEBI
CHEBI:180217
UNII
J9XX5Y9211
EC Number
203-908-7、253-677-1、811-711-8
Nikkaji
J126.502D、J82.396A

物性

構造計算による物性

XLogP
3.5
極性表面積
26.3 Ų
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
7
重原子数
12

実験および物理化学的性質

SpringerMaterials PropertiesViscosity
FragrancesFragrance Ingredient (Methyl 2-nonenoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.893-0.900 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility · 2 件

Insoluble in water; soluble in non-polar solvents

Soluble (in ethanol)

物理化学的性質

沸点
67 · 67-68 °C(Press: 3 Torr)
比重(密度)
0.8998 g/cm3 · 0.8998 g/cm3
蒸気圧
13.7 · 13.7-19Pa at 20-25℃
屈折率
20 · n20/D 1.444 (lit.)
臭い (Odor)
緑色、フルーティ、メロンのような味わい
由来生物
synthetic

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 93.9% (1597 of 1700) of all reports.

Not Classified

Aggregated GHS information provided per 1700 reports by companies from 6 notifications to the ECHA C&L Inventory.

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 6 件

Chemical: 2-Nonenoic acid, methyl ester

Chemical: Nonenoic acid, methyl ester

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

REACH registered substance: Methyl non-2-enoate (EC: 203-908-7)

REACH registered substance: (E)-methyl non-2-enoate (EC: 811-711-8)

Methyl 2-nonenoate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories · 2 件

Not Classified

Aquatic Acute 1 (100%)

安全データ

wgk
WGK 3
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 2
ストレージクラス
10 - Combustible liquids

化学と産業

用途と製造

Household ProductsInformation on 1 consumer products that contain Methyl-2-nonenoate
 in the following categories is provided:
Use Classification · 3 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 件

2-Nonenoic acid, methyl ester: ACTIVE

Nonenoic acid, methyl ester: INACTIVE

応用分野

一般的な説明Methyl trans-2-nonenoate is one of the volatile compounds identified in mango wine.

上流・下流製品情報

サプライヤー2 社

Syntechem Co.,Ltd[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

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