Methyl (methylthio)acetate

HCID 85522CAS 16630-66-3
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Grundinformationen

Standard-SMILES
COC(=O)CSC
InChIKey
HZYCAKGEXXKCDM-UHFFFAOYSA-N
Summenformel
C4H8O2S
Durchschnittliche Molmasse
120,17 g/mol
Monoisotopische Masse
120,02450067

Namen und Bezeichner

Bevorzugter Name
Methyl (methylthio)acetate
IUPAC
methyl 2-methylsulfanylacetate
Englischer Name
METHYL (METHYLTHIO)ACETATE
Summenformel
C4H8O2S
Molmasse
120.17

Namen und Synonyme

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
Weitere Namen anzeigen
FEMA 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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,8
Polarare Oberfläche (TPSA)
51,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

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

Soluble in non-polar solvents; insoluble in water

Soluble (in ethanol)

Boiling Point · 2 Einträge

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 · 3 Einträge

925；855

918；889；894；904；929

1412；1386；1402；1395；1414；1352；1393

Physikochemische Eigenschaften

Siedepunkt
49 · 49-51 °C/12 mmHg (lit.)
Dichte
1.11 g/mL · 1.11 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.4650(lit.)
FEMA
4003 · 4003 | METHYL (METHYLTHIO)ACETATE
Flammpunkt
140 °F · 140 °F
storage temp.
2 · 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

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%)

Regulatorische Informationen

Regulatory Information · 4 Einträge

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

Sicherheitsdaten

F
8-13
wgk
3
ridadr
UN 3272 3/PG 3
hs_code
29309090
hazard_code
F
safety_code
24/25

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm；Extracellular；Membrane

Verwendung und Herstellung

Use Classification · 4 Einträge

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

Anwendungen

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

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

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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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