메틸(메틸티오)아세테이트

Methyl (methylthio)acetate

HCID 85522CAS 16630-66-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COC(=O)CSC
InChIKey
HZYCAKGEXXKCDM-UHFFFAOYSA-N
분자식
C4H8O2S
평균 분자량
120.17 g/mol
단동위원소 질량
120.02450067

이름 및 식별자

우선 이름
Methyl (methylthio)acetate
IUPAC
methyl 2-methylsulfanylacetate
현지명
메틸(메틸티오)아세테이트
영어명
METHYL (METHYLTHIO)ACETATE
분자식
C4H8O2S
분자량
120.17

이름 및 동의어

Methyl (methylthio)acetate16630-66-3Methyl 2-(methylthio)acetatemethyl 2-methylsulfanylacetatemethyl 2-(methylsulfanyl)acetateAcetic acid, (methylthio)-, methyl ester(Methylthio)acetic Acid Methyl EsterMethyl (methylithio)acetateAcetic acid, 2-(methylthio)-, methyl estermethyl methylthioacetateGN58C28ML9UNII-GN58C28ML9
이름 더 보기
메틸(메틸티오)아세테이트FEMA 4003METHYL3-METHYLTHIOACETATEMETHYL S-METHYLTHIOGLYCOLATEMethyl(Methylthio)acetate>METHYL (METHYLMERCAPTO)ACETATEMethyl (methylsulfanyl)acetateMethyl (methylthio)acetate 98%
DTXSID20168090EINECS 240-683-4FEMA NO. 4003METHYL METHYLSULFANYLACETATEMETHYL (METHYLTHIO)ACETATE [FHFI]METHYLSULFANYLACETIC ACID METHYL ESTERRefChem:157120DTXCID1090581

데이터베이스 식별자

CAS
16630-66-3
PubChem CID
85522
DTXSID
DTXSID20168090
ChEBI
CHEBI:173329
UNII
GN58C28ML9
EC Number
240-683-4
Nikkaji
J318.271A

물성

구조 계산 물성

XLogP
0.8
극성 표면적
51.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
7

실험 및 물리화학적 성질

Density1.105-1.115 (20 °C)
Solubility · 2건

Soluble in non-polar solvents; insoluble in water

Soluble (in ethanol)

Boiling Point · 2건

49.00 to 51.00 °C. @ 12.00 mm Hg

144-145 °C

Refractive Index1.464-1.466
Physical DescriptionClear, colourless liquid; Fruity, pungent aroma
Kovats Retention Index · 3건

925；855

918；889；894；904；929

1412；1386；1402；1395；1414；1352；1393

물리화학적 성질

끓는 점
49 · 49-51 °C/12 mmHg (lit.)
밀도
1.11 g/mL · 1.11 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.4650(lit.)
FEMA
4003 · 4003 | METHYL (METHYLTHIO)ACETATE
인화점
140 °F · 140 °F
저장 조건
2 · 2-8°C

화학적 성질

clear colorless to dark yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 52.9% (91 of 172) of all reports.

Warning

H226 (47.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 172 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 91 of 172 reports by companies.；There are 3 notifications provided by 81 of 172 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 4건

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

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

Status: Active Update: 03-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/23405

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

Hazard Classes and CategoriesFlam. Liq. 3 (47.1%)

규제 정보

Regulatory Information · 4건

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

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

Status: Active Update: 03-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/23405

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

안전 데이터

wgk
3
ridadr
UN 3272 3/PG 3
HS 번호
29309090
hazard_code
F
safety_code
24/25
포장분류
III

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular；Membrane

용도 및 제조

Use Classification · 4건

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

응용 분야 · 3건

출처Reportedly present in cantaloupe, honeydew, watermelon, papaya, pineapple, durian (Durio zibethinus) and kiwifruit

용도Methyl (methylthio)acetate may be used in chemical synthesis.

일반 설명Methyl (methylthio)acetate is a thioether ester and is considered of importance to the aroma profiles of Cucumis melo fruit. It is identified as new sulfur volatile in strawberry.

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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