메틸티오아세트산에틸에스테르

Ethyl (methylthio)acetate

HCID 78199CAS 4455-13-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)CSC
InChIKey
MDIAKIHKBBNYHF-UHFFFAOYSA-N
분자식
C5H10O2S
평균 분자량
134.2 g/mol
단동위원소 질량
134.04015056

개요

Ethyl 2-(methylthio)acetate is a carboxylic ester.

이름 및 식별자

우선 이름
Ethyl (methylthio)acetate
IUPAC
ethyl 2-methylsulfanylacetate
현지명
메틸티오아세트산에틸에스테르
영어명
Ethyl (methylthio)acetate
분자식
C5H10O2S
분자량
134.2

이름 및 동의어

Ethyl (methylthio)acetate4455-13-4Ethyl 2-(methylthio)acetateAcetic acid, (methylthio)-, ethyl esterEthyl 2-(methylthio)-acetateethyl 2-(methylsulfanyl)acetate6148QQN25TEthyl 2-methylthioacetateEINECS 224-700-2NSC-165655FEMA NO. 3835DTXSID40196219
이름 더 보기
(메틸티오)아세트산에틸메틸티오아세트산에틸에스테르(메틸티오)아세트산 에틸FEMA 38355-PHENYL-O-ANISIDINE, 98+%Ethyl(Methylthio)acetate>Ethyl(methylthio)acetate,98%Ethyl (methylsulfanyl)acetateEthyl (methylthio)acetate,95%ETHYL ALPHA-(METHYLTHIO)ACETATE
NSC 165655(METHYLTHIO)ACETIC ACID ETHYL ESTSETHYL 2-(METHYLTHIO)ACETATE [FHFI]ACETIC ACID, 2-(METHYLTHIO)-, ETHYL ESTERRefChem:593155DTXCID00118710224-700-2ethyl 2-methylsulfanylacetate

데이터베이스 식별자

CAS
4455-13-4
PubChem CID
78199
DTXSID
DTXSID40196219
ChEBI
CHEBI:173553
UNII
6148QQN25T
EC Number
224-700-2
Nikkaji
J205.842A

물성

구조 계산 물성

XLogP
1.2
극성 표면적
51.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
8

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.038-1.043
Flavoring AgentsEU Flavoring substances
Solubility · 3건

very slightly

very slightly soluble in water; soluble in alcohols and oils

(in ethanol)

Boiling Point · 2건

70.00 to 72.00 °C. @ 12.00 mm Hg

70-72 °C (25 mm Hg)

물리화학적 성질

끓는 점
70 · 70-72 °C/25 mmHg (lit.)
밀도
1.043 g/mL · 1.043 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.459(lit.)
FEMA
3835 · 3835 | ETHYL 2-(METHYLTHIO)ACETATE
인화점
139 °F · 139 °F
저장 조건
2 · 2-8°C

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (99.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 137 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Acetic acid, (methylthio)-, ethyl ester

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

Hazard Classes and CategoriesFlam. Liq. 3 (99.3%)

안전 데이터

wgk
3
ridadr
UN 3272 3/PG 3
HS 번호
29309090
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

용도 및 제조

Use Classification · 2건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

응용 분야 · 3건

출처Reported found in melon, apple, pineapple, durian, yellow passion fruit and kiwifruit.

용도Ethyl (methylthio)acetate is used as an internal standard during the analytical determination of volatile sulfur compounds in port wines. Further, it is used as food flavors.

일반 설명Natural occurrence: Apple and melon.

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]

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