フェノキシ酢酸 メチル

Methyl phenoxyacetate

HCID 16365
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基本情報

CAS
2065-23-8
標準SMILES
COC(=O)COc1ccccc1
InChIKey
BZCKRPHEZOHHBK-UHFFFAOYSA-N
分子式
C9H10O3
平均分子量
166.17 g/mol
単同位体質量
166.06299418

名称と識別子

優先名称
Methyl phenoxyacetate
IUPAC
methyl 2-phenoxyacetate
現地名
フェノキシ酢酸 メチル
英語名
Methyl phenoxyacetate
分子式
C9H10O3
分子量
166.17

名称と別名

methyl 2-phenoxyacetateMETHYL PHENOXYACETATE2065-23-8Phenoxyacetic acid methyl esterAcetic acid, phenoxy-, methyl esterAcetic acid, 2-phenoxy-, methyl esterJD9OF3328OEINECS 218-176-4NSC 32414NSC-32414AI3-04318DTXSID2062161
名称をさらに表示
フェノキシ酢酸 メチルメチル=フェノキシアセタート2-フェノキシ酢酸メチルフェノキシ酢酸メチル酢酸フェノキシメチルフェノキシ酢酸メチルエステルフェノキシメチル アセタートメチル 2-フェノキシアセタートMethyl phenoxylateMethyl phenoxyacetatPHENOXY METHYL ACETATEMethylPhenoxyacetate>Methyl phenoxyacetate,99%Phenoxyacetic acid methylMethyl（ethyl）phenoxyacetatephenoxy-aceticacimethylester
RefChem:818034DTXCID9036359218-176-4InChI=1/C9H10O3/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1HMFCD00010227METHYLPHENOXYACETATEUNII-JD9OF3328OMethyl phenoxy acetate

データベース識別子

CAS
2065-23-8
PubChem CID
16365
DTXSID
DTXSID2062161
UNII
JD9OF3328O
EC Number
218-176-4
Nikkaji
J80.384G

物性

構造計算による物性

XLogP
1.4
極性表面積
35.5 Ų
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
12

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift
LogP1.41

物理化学的性質

融点
245 °C · 245 °C
沸点
243 °C · 243 °C (lit.)
比重(密度)
1.149 g/mL · 1.149 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.514(lit.)
闪点
230 °F · >230 °F
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性Methyl phenoxyacetate, when the temperature ≥ 30°C is a clear colorless to slightly yellow liquid; at < 30°C is a white solid. It can be used as disinfectant or pharmaceutical intermediate or pesticide intermediate.

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (98.9%): 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 95 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: Acetic acid, phenoxy-, methyl ester

Status: Active Update: 13-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19264

Acetic acid, phenoxy-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (98.9%)

安全データ

wgk
3
tsca
TSCA listed
hs_code
29189900
消防法
危-4-3-III
safety_code
24/25
ストレージクラス
12 - Non Combustible Liquids

化学と産業

用途と製造

General Manufacturing InformationAcetic acid, 2-phenoxy-, methyl ester: INACTIVE

応用分野

使用Methyl phenoxyacetate (MPOA) was used as an acylating agent in the synthesis of loracarbef, a carbacephalosporin antibiotic.

調製方法 · 1 件

製造方法synthesis of methyl phenoxyacetate: methyl bromoacetate (10 mL, 105.6 mmol) and phenol (9.9380 g, 105.6 mmol) were dissolved in 250 mL of acetone; K2CO3 (21.89 g, 158 mmol) and KI (5 g, 30 mmol) were added and the mixture heated to reflux with stirring overnight. The mixture was filtered and the resultant solution concentrated in vacuo. Deionized water (200 mL) was added. The reaction mixture was extracted with 50 mL ethyl acetate three times. The combined ethyl acetate layers were washed with brine, dried over MgSO4, and filtered. All ethyl acetate was removed in vacuo, resulting in a slightly yellow liquid (80% yield).

上流・下流製品情報

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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