Methylhexa-2,4-dienoat

Methyl sorbate

HCID 5323650
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Grundinformationen

CAS
1515-80-6
Standard-SMILES
C/C=C/C=C/C(=O)OC
InChIKey
KWKVAGQCDSHWFK-VNKDHWASSA-N
Summenformel
C7H10O2
Durchschnittliche Molmasse
126,15 g/mol
Monoisotopische Masse
126,06807956

Namen und Bezeichner

Bevorzugter Name
Methyl sorbate
IUPAC
methyl (2E,4E)-hexa-2,4-dienoate
Lokaler Name
Methylhexa-2,4-dienoat
Englischer Name
Methyl sorbate
Summenformel
C7H10O2
Molmasse
126.15

Namen und Synonyme

Methyl sorbate689-89-4methyl (2E,4E)-hexa-2,4-dienoateSorbic acid, methyl esterMethyl (E,E)-sorbateMethyl (2E,4E)-hexadienoateFEMA No. 37142-trans,4-trans-Methyl sorbate2-trans-4-trans-Methyl sorbateMethyl trans,trans-sorbateMethyl (E,E)-hexa-2,4-dienoateMethyl sorbate, (E,E)-
Weitere Namen anzeigen
methyl hexa-2,4-dienoateFEMA 3714Methyl Sorbate >METHYL 2,4-HEXADIENOATESORBIC ACID METHYL ESTERMETHYL SORBATE USP/EP/BPMETHYL T2 T4 HEXADIENOATE2,4-Hexadienoic acid methylmethyl (2E,4Z)-hexa-2,4-dienoate2,4-HEXADIENOIC ACID METHYL ESTER
Sorbic acid, methyl ester, (E,E)-METHYL SORBATE [FHFI]2,4-HEXADIENOIC ACID, METHYL ESTER, (E,E)-AI3-30202Methyl (E,E)-2,4-hexadienoateEINECS 211-712-8Methyl 2,4-hexadienoate, (E,E)-2,4-Hexadienoic acid, methyl ester, (2E,4E)-

Datenbank-Bezeichner

CAS
1515-80-6、689-89-4
PubChem CID
5323650
DTXSID
DTXSID30862370
ChEMBL
CHEMBL250421
ChEBI
CHEBI:184593
UNII
J3048615R1
EC Number
211-712-8、216-160-1
Nikkaji
J184.214E、J45.089H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,6
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
3
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Density0.933-0.938
Solubility · 2 Einträge

Slightly soluble in water; miscible in oils

soluble (in ethanol)

Boiling Point · 2 Einträge

180.00 °C. @ 760.00 mm Hg

180 °C

Melting Point5 °C
Refractive Index1.501-1.505
Physical Description · 2 Einträge

Liquid

colourless to light yellow liquid; fruity, sweet, anise aroma

Physikochemische Eigenschaften

Schmelzpunkt
8 °C · 8°C
Siedepunkt
180 °C · 180 °C(lit.)
Dichte
0.968 g/mL · 0.968 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.503(lit.)
Flammpunkt
158 °F · 158 °F
storage temp.
Amber Vial, Refrigerator

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 70% (91 of 130) of all reports.

Warning

H315 (30%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (30%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 130 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 91 of 130 reports by companies.；There is 1 notification provided by 39 of 130 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 2,4-Hexadienoic acid, methyl ester, (E,E)-

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

2,4-Hexadienoic acid, methyl ester, (2E,4E)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 2,4-Hexadienoic acid, methyl ester, (E,E)-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (30%)；Eye Irrit. 2 (30%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: 2,4-Hexadienoic acid, methyl ester, (E,E)-

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

2,4-Hexadienoic acid, methyl ester, (2E,4E)-: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
hs_code
2916199590
risk_code
36/38
hazard_code
Xi
safety_code
26-36

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm；Extracellular；Membrane

Verwendung und Herstellung

Use Classification · 3 Einträge

Fragrance Ingredients

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information2,4-Hexadienoic acid, methyl ester, (2E,4E)-: INACTIVE

Anbieter57 Anbieter

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
Shaanxi LonierHerb Bio Technology Co Ltd+86-86-+86-86-029-87551862 15002946897 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

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