Methylthioacetat

S-Methyl thioacetate

HCID 73750
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Grundinformationen

CAS
1534-08-3
Standard-SMILES
CSC(C)=O
InChIKey
OATSQCXMYKYFQO-UHFFFAOYSA-N
Summenformel
C3H6OS
Durchschnittliche Molmasse
90,15 g/mol
Monoisotopische Masse
90,01393598

Namen und Bezeichner

Bevorzugter Name
S-Methyl thioacetate
IUPAC
S-methyl ethanethioate
Lokaler Name
Methylthioacetat
Englischer Name
S-Methyl thioacetate
Summenformel
C3H6OS
Molmasse
90.14

Namen und Synonyme

S-Methyl thioacetate1534-08-3S-Methyl ethanethioateEthanethioic acid, S-methyl esterMethylthioacetatePF2D4MWX791-(methylsulfanyl)ethan-1-oneDTXSID3073264FEMA NO. 3876CHEBI:51280RefChem:884259DTXCID8034956
Weitere Namen anzeigen
FEMA 3876CH3C(O)SCH3S-MethylThioacetate>S-METHYL ACETOTHIOACETATES-Methyl Thioacetate 98%Pineapple alcohol acetate
DTXCID20285251216-252-1DTXSID10334161Methyl thioacetateS-METHYLTHIOACETATEMethanethiol acetateThioacetic acid S-methyl esterMethyl thiolacetate

Datenbank-Bezeichner

CAS
1534-08-3
PubChem CID
73750
DTXSID
DTXSID3073264
ChEBI
CHEBI:51280
UNII
PF2D4MWX79
EC Number
216-252-1
Nikkaji
J125.731E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,7
Polarare Oberfläche (TPSA)
42,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
5

Experimentelle und physikochemische Eigenschaften

Density0.817-0.825
Solubility · 2 Einträge

soluble in oil and alcohol

(in ethanol)

Boiling Point · 2 Einträge

95.00 to 96.00 °C. @ 760.00 mm Hg

95-96 °C

Refractive Index1.460-1.468
Physical Description · 2 Einträge

Liquid

colourless to pale yellow liquid

Kovats Retention Index · 3 Einträge

688；675；683；671；671；675；689.6

701；702；699；689；689；702

1056；1052；1046；1041；1057；1090；1047；1056；1044；1044；1060；1050；1054；1052.2；1056.4

Physikochemische Eigenschaften

Schmelzpunkt
97 · 97~99℃
Siedepunkt
97 · 97-99°C
Dichte
1 · 1,024 g/cm3
Brechungsindex
1.464 · n/D1.464
FEMA
3876 · 3876 | S-METHYL THIOACETATE
Flammpunkt
12 °C · 12°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 0.2% (3 of 1490) of reports.

Danger

H225 (13.4%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H226 (86.4%): Flammable liquid and vapor [Warning Flammable liquids]；H311 (99.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H319 (99.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (96.8%): Toxic if inhaled [Danger Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P337+P317, P361+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1490 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 1490 reports by companies.；There are 8 notifications provided by 1487 of 1490 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 · 2 Einträge

Chemical: Ethanethioic acid, S-methyl ester

Ethanethioic acid, S-methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 2 (13.4%)；Flam. Liq. 3 (86.4%)；Acute Tox. 3 (99.5%)；Eye Irrit. 2 (99.5%)；Acute Tox. 3 (96.8%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Ethanethioic acid, S-methyl ester

Ethanethioic acid, S-methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk
3
ridadr
1992
hs_code
29309090
risk_code
11-20/21/22-36-24-20
hazard_code
F,T
safety_code
16-23-29-36/37-45-26

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsCytoplasm；Extracellular

Verwendung und Herstellung

Use Classification · 5 Einträge

Fragrance Ingredients

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

OccurrenceReported found in melon, strawberry, onion, Gruyere and limburger cheese, fish oil, cooked beef, pork liver, beer, whiskies, grape wines, coffee and yellow passion fruit

Vor- und nachgelagerte Produkte

Anbieter100 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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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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