CAS 606-45-1 Methyl 2-Methoxybenzoate (HCID 61151)

概要

Methyl 2-methoxybenzoate is a methoxybenzoic acid.

名称と識別子

優先名称: Methyl 2-Methoxybenzoate
IUPAC: methyl 2-methoxybenzoate
現地名: o-アニス酸メチル
英語名: Methyl 2-methoxybenzoate
分子式: C9H10O3
分子量: 166.17

名称と別名

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

名称をさらに表示

o-アニス酸メチルメチルo-メトキシベンゾアート2-メトキシ安息香酸メチルo-メトキシ安息香酸メチルメチル-o-メトキシベンゾエ-ト2-メトキシ安息香酸メチル, 98+%メチル 2-メトキシベンゾアート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

データベース識別子

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

物性

構造計算による物性

XLogP: 2
極性表面積: 35.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 12
形式電荷: 0
複雑度: 156

実験および物理化学的性質

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

物理化学的性質

沸点: 248 °C · 248 °C (lit.)
比重(密度): 1.157 g/mL · 1.157 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.534(lit.)
FEMA: 2717 · 2717 | METHYL O-METHOXYBENZOATE
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
色: Colorless to Almost colorless
比重: 1.16 · 1.16
臭い (Odor): 100 %で。ハーブ · 100.00%で。ハーブフローラルヒヤシンスカナンガフルーティブラックカラント
においのタイプ: ハーブ
由来生物: synthetic
JECFA Number: 880 · 880
BRN: 2207356 · 2207356
Dielectric constant: 7.8 · 7.8(21℃)
主な用途: フレーバーそして香料
化粧品成分の機能: 香料
InChI: 1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3
InChIKey: PFYHAAAQPNMZHO-UHFFFAOYSA-N
SMILES: COC(=O)c1ccccc1OC
LogP: 2.04 · 2.04
CAS データベース: 606 · 606-45-1(CAS DataBase Reference)
NISTの化学物質情報: 2 · Benzoic acid, 2-methoxy-, methyl ester(606-45-1)
EPAの化学物質情報: 2 · Benzoic acid, 2-methoxy-, methyl ester (606-45-1)

化学的性質

化学的特性clear colorless to slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: DH3549000
hs_code: 29189090
risk_code: 36/37/38
化審法: (3)-3055
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36-37/39
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsCytoplasm

用途と製造

Household ProductsInformation on 1 consumer products that contain Methyl O-Anisate in the following categories is provided:

Use Classification · 5 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationBenzoic acid, 2-methoxy-, methyl ester: ACTIVE

応用分野 · 5 件

用途有機合成原料。

説明METHYL 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.

天然物の起源Reported found in a grape and mushroom variety, Trametes graveolens, Vitis labrusca L. and black tea.

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

一般的な説明FeCl2 catalyzed cross-coupling reaction between methyl 2-methoxybenzoate and diphenylmethane under various reaction conditions has been investigated.

調製方法

製造方法By esterification of anisic acid with methanol, or from sodium anisate and dimethylsulfate in the presence of methanol

上流・下流製品情報

下流製品

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化合物ノート

読み込み中…

o-アニス酸メチル

基本情報

概要