Acetic acid, 2-phenoxy-, ethyl ester (HCID 17365)

이름 및 식별자

우선 이름: Acetic acid, 2-phenoxy-, ethyl ester
IUPAC: ethyl 2-phenoxyacetate
영어명: Ethyl phenoxyacetate
분자식: C10H12O3
분자량: 180.2

이름 및 동의어

ETHYL PHENOXYACETATEethyl 2-phenoxyacetate2555-49-9Acetic acid, phenoxy-, ethyl esterEINECS 219-867-3DTXSID3062520Acetic acid, 2-phenoxy-, ethyl esterAI3-04110RefChem:552176DTXCID9037329219-867-3Phenoxyacetic Acid Ethyl Ester

이름 더 보기

2-phenoxybutanoateEthylPhenoxyacetate>Ethylphenoxyacetate,98%ETHYL-(2-PHENOXYACETAT)Ethyl phenoxyacetate 98%phenoxy-aceticaciethylester

MFCD00026895SCHEMBL377638Phenoxy-acetic acid ethyl esterAS-57728SY017862Phenoxyacetic acid, ethyl esterFT-0626232FT-0626233

데이터베이스 식별자

CAS: 2555-49-9
PubChem CID: 17365
DTXSID: DTXSID3062520
EC Number: 219-867-3
Nikkaji: J141.456I

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 13
형식 전하: 0
복잡도: 150

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

FragrancesFragrance Ingredient (Ethyl phenoxyacetate) -> IFRA transparency List

물리화학적 성질

끓는 점: 136 °C/19 · 136 °C/19 mmHg (lit.)
밀도: 1.1 g/mL · 1.1 g/mL at 25 °C (lit.)
굴절률: 1.5045 · 1.5045-1.5065
인화점: 110 °C · >110°C
저장 조건: Store at room temperature
물리적 상태: 액체
Specific Gravity: 1.1 · 1.100
색상: 맑은 노란색
냄새: 100 %에서 · 100.00%에서. 녹색 꽃 장미
냄새 유형: 꽃향기
수용성: 섞일 수 없음
BRN: 1871712 · 1871712
화장품 원료 기능: 향수
InChI: 1S/C10H12O3/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey: MGZFVSUXQXCEHM-UHFFFAOYSA-N
SMILES: CCOC(=O)COc1ccccc1
LogP: 2.348 · 2.348 (est)
EPA: Acetic acid, phenoxy-, ethyl ester (2555-49-9)

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 8.1% (114 of 1402) of reports.

Warning

H319 (91.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 1402 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationChemical: Acetic acid, phenoxy-, ethyl ester

Other Safety InformationIMAP assessments - Acetic acid, phenoxy-, ethyl ester: Environment tier I assessment

Hazard Classes and CategoriesEye Irrit. 2 (91.8%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29189900
safety_code: 24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

Use ClassificationFragrance Ingredients

General Manufacturing InformationAcetic acid, 2-phenoxy-, ethyl ester: ACTIVE

응용 분야 · 2건

용도The ester is occasic nally used in flavor compositions, mainly imitation Honey, where it can help tone down the rather pungent notes of the conventional Methyl- and Ethyl phenylacetates. Higher esters of Phenoxyacetic acid are also used in Honey - for perfumes andflavors, and some of them find their way into Styrax-bases.

일반 설명Ethyl phenoxyacetate is an ester. It undergoes cyanide ion catalyzed aminolysis with ammonia to afford the corresponding amide.