Methyl phenoxyacetate

HCID 16365CAS 2065-23-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)COc1ccccc1
InChIKey
BZCKRPHEZOHHBK-UHFFFAOYSA-N
분자식
C9H10O3
평균 분자량
166.17 g/mol
단동위원소 질량
166.06299418

이름 및 식별자

우선 이름
Methyl phenoxyacetate
IUPAC
methyl 2-phenoxyacetate
영어명
Methyl phenoxyacetate
분자식
C9H10O3
분자량
166.17

이름 및 동의어

methyl 2-phenoxyacetateMETHYL PHENOXYACETATE2065-23-8Phenoxyacetic acid methyl esterAcetic acid, phenoxy-, methyl esterAcetic acid, 2-phenoxy-, methyl esterJD9OF3328OEINECS 218-176-4NSC 32414NSC-32414AI3-04318DTXSID2062161
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.4
극성 표면적
35.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
12

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift
LogP1.41

물리화학적 성질

녹는점
245 °C · 245 °C
끓는 점
243 °C · 243 °C (lit.)
밀도
1.149 g/mL · 1.149 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.514(lit.)
인화점
230 °F · >230 °F
저장 조건
Sealed in dry,Room Temperature

화학적 성질

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.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29189900
safety_code
24/25
스토리지 클래스
12 - Non Combustible Liquids

화학 및 산업

용도 및 제조

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

응용 분야

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

제조 방법 · 1건

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).

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
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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