Methyl-o-anisat

Methyl 2-Methoxybenzoate

HCID 61151CAS 606-45-1
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Grundinformationen

Standard-SMILES
COC(=O)c1ccccc1OC
InChIKey
PFYHAAAQPNMZHO-UHFFFAOYSA-N
Summenformel
C9H10O3
Durchschnittliche Molmasse
166,17 g/mol
Monoisotopische Masse
166,06299418

Überblick

Methyl 2-methoxybenzoate is a methoxybenzoic acid.

Namen und Bezeichner

Bevorzugter Name
Methyl 2-Methoxybenzoate
IUPAC
methyl 2-methoxybenzoate
Lokaler Name
Methyl-o-anisat
Englischer Name
Methyl 2-methoxybenzoate
Summenformel
C9H10O3
Molmasse
166.17

Namen und Synonyme

Methyl 2-methoxybenzoate606-45-1Methyl o-anisateDimethyl salicylateMethyl o-methoxybenzoateBENZOIC ACID, 2-METHOXY-, METHYL ESTERMethoxy methylbenzoate, o-FEMA No. 2717UNII-SB18J2MCQLmethyl ortho-anisateEINECS 210-118-6DTXSID5047087
Weitere Namen anzeigen
FEMA 2717METHYL 2-ANISATEdimethylsalicylateRARECHEM AL BF 0022Methyl 2-methoxybenzMethyl o-Anisate >o-methoxymethylbenzoate
SB18J2MCQLBRN 2207356AI3-00680O-Methoxy methylbenzoateMethyl o-methoxy benzoateDimethyl derivative of Salicylic acidMethyl ester of o-Methoxybenzoic acidNSC-406256

Datenbank-Bezeichner

CAS
606-45-1
PubChem CID
61151
DTXSID
DTXSID5047087
ChEMBL
CHEMBL2252121
ChEBI
CHEBI:173749
UNII
SB18J2MCQL
EC Number
210-118-6
Nikkaji
J47.046E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2
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 PropertiesAngular frequency
FragrancesFragrance Ingredient (Methyl o-methoxybenzoate) -> IFRA transparency List
LogP2.04
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.144-1.160
Flavoring AgentsEU Flavoring substances

Physikochemische Eigenschaften

Siedepunkt
248 °C · 248 °C (lit.)
Dichte
1.157 g/mL · 1.157 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.534(lit.)
FEMA
2717 · 2717 | METHYL O-METHOXYBENZOATE
Flammpunkt
230 °F · >230 °F
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 85.2% (236 of 277) of all reports.

Warning

H315 (14.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 277 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzoic acid, 2-methoxy-, methyl ester

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

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

Other Safety InformationIMAP assessments - Benzoic acid, 2-methoxy-, methyl ester: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (14.8%)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
hs_code
29189090
RTECS-Nr.
DH3549000
risk_code
36/37/38
hazard_code
Xi

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm

Verwendung und Herstellung

Household ProductsInformation on 1 consumer products that contain Methyl O-Anisate in the following categories is provided:
Use Classification · 5 Einträge

Fragrance Ingredients

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

General Manufacturing InformationBenzoic acid, 2-methoxy-, methyl ester: ACTIVE
Anwendungen · 3 Einträge

BeschreibungMETHYL ο-METHOXYBENZOATE has a herbaceous, anise-like odor with a sweet taste reminiscent of melon. May be prepared by esterification of anisic acid with methanol; or from sodium anisate and dimethylsulfate in the presence of methanol.

OccurrenceReported found in a grape and mushroom variety, Trametes graveolens, Vitis labrusca L. and black tea.

VerwendenMethyl 2-methoxybenzoate has been used in the synthesis of (+/)-vibralactone.

Darstellung

synthetischeBy esterification of anisic acid with methanol, or from sodium anisate and dimethylsulfate in the presence of methanol

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

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