2-Methoxyphenylacetat

Guaiacyl acetate

HCID 61155CAS 613-70-7
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Grundinformationen

Standard-SMILES
COc1ccccc1OC(C)=O
InChIKey
BHJHPYFAYGAPLS-UHFFFAOYSA-N
Summenformel
C9H10O3
Durchschnittliche Molmasse
166,17 g/mol
Monoisotopische Masse
166,06299418

Überblick

Guaicyl acetate is a member of phenols and a benzoate ester.

Namen und Bezeichner

Bevorzugter Name
Guaiacyl acetate
IUPAC
(2-methoxyphenyl) acetate
Lokaler Name
2-Methoxyphenylacetat
Englischer Name
2-METHOXYPHENYL ACETATE
Summenformel
C9H10O3
Molmasse
166.17

Namen und Synonyme

2-Methoxyphenyl acetate613-70-7Guaiacol acetateGuaiacyl acetate1-Acetoxy-2-methoxybenzeneo-AcetoxyanisoleAcetyl guaiacolPhenol, 2-methoxy-, acetateo-Anisyl acetateo-METHOXYPHENYL ACETATEPhenol, 2-methoxy-, 1-acetatePhenol, o-methoxy-, acetate
Weitere Namen anzeigen
EucolFEMA 3687O-ACETYLGUAIACOL2-GUAIACOL ACETATEGlycerol Impurity 432-methoxy-phenoacetate
FEMA No. 3687NSC 3831K5YN7743HCNSC-3831EINECS 210-350-8AI3-10032GUAIACYL ACETATE [FHFI]DTXSID80862289

Datenbank-Bezeichner

CAS
613-70-7
PubChem CID
61155
DTXSID
DTXSID80862289
ChEBI
CHEBI:193709
UNII
K5YN7743HC
EC Number
210-350-8
Nikkaji
J31.560E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
35,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient
LogP1.38
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.127-1.134
Flavoring AgentsEU Flavoring substances
Solubility · 2 Einträge

insoluble to slightly soluble in water

miscible (in ethanol)

Physikochemische Eigenschaften

Schmelzpunkt
31.5 °C · 31.5°C
Siedepunkt
122 · 122-124 °C18 mm Hg(lit.)
Dichte
1.129 g/mL · 1.129 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.514(lit.)
FEMA
3687 · 3687 | GUAIACYL ACETATE
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 77.6% (90 of 116) of all reports.

Warning

H315 (22.4%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 116 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Phenol, 2-methoxy-, acetate

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

Phenol, 2-methoxy-, acetate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Phenol, 2-methoxy-, acetate: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (22.4%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29153900
hazard_class
IRRITANT

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use Classification · 6 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationPhenol, 2-methoxy-, 1-acetate: INACTIVE

Anwendungen

BeschreibungGuaiacyl acetate has an odor similar to that of guaiacol. It may be synthesized from guaiacol and excess acetic anhydride in the presence of trace amounts of H2S04.

OccurrenceReported found in cocoa

Darstellung

synthetischeFrom guaiacol and excess acetic anhydride in the presence of trace amounts of H2SO4.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海策嵘生物科技有限公司[email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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