Ethyl 2-Methoxybenzoate

HCID 81784

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基本情報

CAS: 66507-71-9
標準SMILES: CCOC(=O)c1ccccc1OC
InChIKey: FNODWEPAWIJGPM-UHFFFAOYSA-N
分子式: C10H12O3
平均分子量: 180.2 g/mol
単同位体質量: 180.07864424

名称と識別子

優先名称: Ethyl 2-Methoxybenzoate
IUPAC: ethyl 2-methoxybenzoate
英語名: Ethanol, 2,2,2-nitrilotris-, compd. with 1,4-dichloro-2-butene polymer with N,N,N,N-tetramethyl-2-butene-1,4-diamine (2:1)
分子式: C18H39Cl2N3O3
分子量: 416.43

名称と別名

Ethyl 2-methoxybenzoateEthyl o-anisate2-Methoxybenzoic acid ethyl esterEthyl o-methoxybenzoateEthyl ortho-anisateBenzoic acid, 2-methoxy-, ethyl estero-Anisic acid, ethyl esterDTXSID90471261OB313918PUNII-1OB313918PEINECS 230-843-1ETHYLMETHOXY SALICYLATE

名称をさらに表示

Ethanol, 2,2,2-nitrilotris-, compd. with 1,4-dichloro-2-butene polymer with N,N,N,N-tetramethyl-2-butene-1,4-diamine (2:1)

AI3-30234DTXCID7027126o-Methoxybenzoic acid, ethyl esterETHYLMETHOXY SALICYLATE [WHO-DD]RefChem:138616670-271-3FNODWEPAWIJGPM-UHFFFAOYSA-N7335-26-4

データベース識別子

CAS: 66507-71-9、7335-26-4
PubChem CID: 81784
DTXSID: DTXSID9047126
ChEMBL: CHEMBL3183817
UNII: 1OB313918P
EC Number: 230-843-1、670-271-3
Nikkaji: J110.026B

物性

構造計算による物性

XLogP: 2.4
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: 4
重原子数: 13
形式電荷: 0
複雑度: 168

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

FragrancesFragrance Ingredient (Ethyl 2-methoxybenzoate) -> IFRA transparency List

Flavoring AgentsEU Flavoring substances

物理化学的性質

EPAの化学物質情報: 1 · Triethanolamine 1,4-dichloro-2-butene N,N,N',N'-tetramethyl-2-butene-1,4-diamine polymer (66507-71-9)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 100% (266 of 266) of all reports.

Not Classified

Aggregated GHS information provided per 266 reports by companies from 1 notifications to the ECHA C&L Inventory.

Warning

H315 (100%): 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)

危険有害性情報

Regulatory Information · 3 件

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

Commission Regulation (EC) No 1565/2000 (Repealed by Com.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

Benzoic acid, 2-methoxy-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzoic acid, 2-methoxy-, ethyl ester: Environment tier I assessment

Hazard Classes and Categories · 2 件

Skin Irrit. 2 (100%)

Not Classified

安全データ

tsca: TSCA listed

化学と産業

用途と製造

Use ClassificationFragrance Ingredients

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

サプライヤー56 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]

常州帝通化工有限公司+86-0519-88298848 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

化合物ノート

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