Methyl 2-nonenoate

HCID 5368076CAS 111-79-5
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Grundinformationen

Standard-SMILES
CCCCCC/C=C/C(=O)OC
InChIKey
ZWNPUELCBZVMDA-CMDGGOBGSA-N
Summenformel
C10H18O2
Durchschnittliche Molmasse
170,25 g/mol
Monoisotopische Masse
170,13067982

Überblick

Methyl 2-nonenoate is a fatty acid ester.

Namen und Bezeichner

Bevorzugter Name
Methyl 2-nonenoate
IUPAC
methyl (E)-non-2-enoate
Englischer Name
(2E)-2-Nonenoic acid methyl ester
Summenformel
C10H18O2
Molmasse
170.25

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,5
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
7
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

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 Einträge

Insoluble in water; soluble in non-polar solvents

Soluble (in ethanol)

Physikochemische Eigenschaften

Siedepunkt
67 · 67-68 °C(Press: 3 Torr)
Dichte
0.8998 g/cm3 · 0.8998 g/cm3
Dampfdruck
13.7 · 13.7-19Pa at 20-25℃
Brechungsindex
20 · n20/D 1.444 (lit.)
Geruch (Odor)
Green, fruity and melon-like
Biologische Quelle
synthetic

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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)

Gefahrenhinweise

Regulatory Information · 6 Einträge

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 Einträge

Not Classified

Aquatic Acute 1 (100%)

Sicherheitsdaten

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

Chemie und Industrie

Verwendung und Herstellung

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

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 Einträge

2-Nonenoic acid, methyl ester: ACTIVE

Nonenoic acid, methyl ester: INACTIVE

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter2 Anbieter

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

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