(2E)-2-노넨산메틸에스테르

Methyl 2-nonenoate

HCID 5368076CAS 111-79-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCCC/C=C/C(=O)OC
InChIKey
ZWNPUELCBZVMDA-CMDGGOBGSA-N
분자식
C10H18O2
평균 분자량
170.25 g/mol
단동위원소 질량
170.13067982

개요

Methyl 2-nonenoate is a fatty acid ester.

이름 및 식별자

우선 이름
Methyl 2-nonenoate
IUPAC
methyl (E)-non-2-enoate
현지명
(2E)-2-노넨산메틸에스테르
영어명
(2E)-2-Nonenoic acid methyl ester
분자식
C10H18O2
분자량
170.25

이름 및 동의어

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
이름 더 보기
(2E)-2-노넨산메틸에스테르methyl (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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3.5
극성 표면적
26.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
7
무거운 원자 수
12

실험 및 물리화학적 성질

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 · 2건

Insoluble in water; soluble in non-polar solvents

Soluble (in ethanol)

물리화학적 성질

끓는 점
67 · 67-68 °C(Press: 3 Torr)
밀도
0.8998 g/cm3 · 0.8998 g/cm3
증기압
13.7 · 13.7-19Pa at 20-25℃
굴절률
20 · n20/D 1.444 (lit.)
냄새
녹색, 과일향, 멜론 같은 느낌
생물학적 소스
synthetic

안전 및 규제

GHS 분류

GHS Classification · 6건

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)

유해성 정보

Regulatory Information · 6건

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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 · 2건

Not Classified

Aquatic Acute 1 (100%)

안전 데이터

wgk
WGK 3
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 2
스토리지 클래스
10 - Combustible liquids

화학 및 산업

용도 및 제조

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

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2건

2-Nonenoic acid, methyl ester: ACTIVE

Nonenoic acid, methyl ester: INACTIVE

응용 분야

일반 설명Methyl trans-2-nonenoate is one of the volatile compounds identified in mango wine.

상·하류 제품 정보

공급사2 곳

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

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