(4-메틸페녹시)아세트산에틸에스테르

Ethyl (p-tolyloxy)acetate

HCID 4047281CAS 67028-40-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)COc1ccc(C)cc1
InChIKey
UMNOIMVMNARUSB-UHFFFAOYSA-N
분자식
C11H14O3
평균 분자량
194.23 g/mol
단동위원소 질량
194.09429431

개요

Ethyl 4-methylphenoxyacetate is a monocarboxylic acid.

이름 및 식별자

우선 이름
Ethyl (p-tolyloxy)acetate
IUPAC
ethyl 2-(4-methylphenoxy)acetate
현지명
(4-메틸페녹시)아세트산에틸에스테르
영어명
(4-METHYLPHENOXY) ACETIC ACID ETHYL ESTER
분자식
C11H14O3
분자량
194.23

이름 및 동의어

67028-40-4Ethyl (4-methylphenoxy)acetateethyl 2-(4-methylphenoxy)acetateEthyl (p-tolyloxy)acetateEthyl p-cresoxyacetateethyl 4-methylphenoxyacetatecherry oxyacetate(4-Methylphenoxy) acetic acid ethyl esterEthyl P-tolyloxyacetateFEMA No. 3157Acetic acid, p-tolyloxy-, ethyl esterAcetic acid, (4-methylphenoxy)-, ethyl ester
이름 더 보기
(4-메틸페녹시)아세트산에틸에스테르Ethyl(p-tolyloxy)acetateETHYLPARA-CRESOXYACETATEETHYL(PARA-TOLYLOXY)ACETATEEthyl 2-(p-tolyloxy)acetate2-(4-Methylphenoxy)butanoateEthyl(4-Methylphenoxy)acetate>p-Tolyloxyacetic acid ethyl ester
Acetic acid, 2-(4-methylphenoxy)-, ethyl esterDTXSID8047428EINECS 266-554-2B0Y0J494AJAI3-11229p-Tolyloxyacetic acid ethyl esterDTXCID6027428ETHYL (P-TOLYLOXY)ACETATE [FHFI]

데이터베이스 식별자

CAS
67028-40-4
PubChem CID
4047281
DTXSID
DTXSID8047428
ChEMBL
CHEMBL3186260
ChEBI
CHEBI:168029
UNII
B0Y0J494AJ
EC Number
266-554-2
Nikkaji
J59.925E

물성

구조 계산 물성

XLogP
2.6
극성 표면적
35.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
5
무거운 원자 수
14

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (Ethyl (p-tolyloxy)acetate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.075-1.080 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility · 2건

Insoluble in water and oil

Miscible at room temperature (in ethanol)

Boiling Point · 2건

120.00 to 121.00 °C. @ 1.00 mm Hg

120 - 121 °C

물리화학적 성질

끓는 점
142 · 142-142°C 11mm
밀도
1.078 g/mL · 1.078 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.502(lit.)
FEMA
3157 · 3157 | ETHYL (P-TOLYLOXY)ACETATE
인화점
113 °C · 113 °C
저장 조건
Store at room temperature

화학적 성질

Ethyl (p-tolyloxy) acetate has a fruity, cherry, anisic honey cocoa, with a nut skin nuance and slight metallic odor.

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 98.9% (91 of 92) of all reports.

Not Classified

Aggregated GHS information provided per 92 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: Acetic acid, (4-methylphenoxy)-, ethyl ester

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

REACH registered substance: Ethyl (4-methylphenoxy)acetate (EC: 266-554-2)

Acetic acid, (4-methylphenoxy)-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

안전 데이터

tsca
TSCA listed
HS 번호
2918.99.4700

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Use Classification · 4건

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationAcetic acid, 2-(4-methylphenoxy)-, ethyl ester: ACTIVE

공급사49 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Aladdin Scientific[email protected]

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