2-Hydroxy-4-(methylthio)buttersure

alpha-Hydroxy-gamma-methylmercaptobutyric acid

HCID 11427CAS 120-91-2

Grundinformationen

Standard-SMILES
CSCCC(O)C(=O)O
InChIKey
ONFOSYPQQXJWGS-UHFFFAOYSA-N
Summenformel
C5H10O3S
Durchschnittliche Molmasse
150,2 g/mol
Monoisotopische Masse
150,03506518

Überblick

2-hydroxy-4-(methylthio)-butanoic acid is a light brown liquid. (USCG, 1999)

Namen und Bezeichner

Bevorzugter Name
alpha-Hydroxy-gamma-methylmercaptobutyric acid
IUPAC
2-hydroxy-4-methylsulfanylbutanoic acid
Lokaler Name
2-Hydroxy-4-(methylthio)buttersure
Englischer Name
2-Hydroxy-4-(methylthio)butyric acid
Summenformel
C5H10O3S
Molmasse
150.2

Namen und Synonyme

2-Hydroxy-4-methylthiobutanoic acidalpha-Hydroxy-gamma-methylmercaptobutyric acidRefChem:5858004-methylthio-2-hydroxybutyratealpha-hydroxy-gamma-methylthiobutyrate2-Hydroxy-4-(methylthio)butyric acid583-91-5DesmeninolAlimet2-Hydroxy-4-(methylthio)butanoic acidDesmeninol [INN]Butanoic acid, 2-hydroxy-4-(methylthio)-
Weitere Namen anzeigen
HMTBAmhaacidHMTBA-13C4Desmenidol-13C4(68-72% in Water)Ipradol (feed grade)MHA acid (feed grade)methioninehydroxyanalog
MHA acid2-hydroxy-4-(methylsulfanyl)butanoic acidMHA-FA2-hydroxy-4-methylsulfanylbutanoic acidMFCD000704902-Hydroxy-4-(methylthio) butanoic acidButyric acid, 2-hydroxy-4-(methylthio)-alpha-Hydroxy-gamma-(methylthio)butyric acid

Datenbank-Bezeichner

CAS
120-91-2、583-91-5
PubChem CID
11427
DTXSID
DTXSID50862236
ChEMBL
CHEMBL2104213
ChEBI
CHEBI:137228
UNII
Z94465H1Y7
EC Number
209-523-0
Nikkaji
J21.888J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,2
Polarare Oberfläche (TPSA)
82,8 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
4
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Uses -> Animal Feed Additives
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Density1.21 to 1.23 (USCG, 1999)
Flash Point250 °F (USCG, 1999)
Melting Point250 °C
Vapor Pressure16.0 [mmHg]

Physikochemische Eigenschaften

Siedepunkt
74 °C · 74°C
Dichte
1.277 · 1.277±0.06 g/cm3 | Condition: Temp: 20 °C Press: 760 Torr
Brechungsindex
1.5151 · 1.5151 (estimate)
storage temp.
Inert atmosphere,Room Temperature
Löslichkeit
0 · Soluble in DMSO:0.0(Max Conc. mg/mL);0.0(Max Conc. mM)
pka
3.67 · 3.67±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Not Classified

Danger

Gefahrenhinweise

Regulatory Information · 2 Einträge

Regulation (EC) No 1831/2003 (amended)

2-Hydroxy-4-(methylthio)butanoic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Butanoic acid, 2-hydroxy-4-(methylthio)-: Environment tier I assessment
Health HazardsCorrosive to the eyes and moderately irritating to the skin. (USCG, 1999)
Hazards SummaryAn irritant; [HSDB] A moderate skin irritant; Corrosive to eyes; [CAMEO] An irritant; Causes burns to eyes; [MSDSonline]
Reactive GroupAcids, Carboxylic
Reactivity Profile · 1 Eintrag

An organosulfide, alcohol, and organic acid. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt.

Sicherheit und Schutzausrüstung

Fire FightingFire Extinguishing Agents: Water spray, alcohol foam, dry chemical, carbon dioxide. (USCG, 1999)
First AidEYES: Flush with plenty of water for at least 15 minutes.
Nonfire Spill ResponseNeutralizing Agents for Acids and Caustics: Sodium bicarbonate solution. Flush with water. (USCG, 1999)
Personal Protective Equipment (PPE)Wear approved respirator with full face piece, chemical resistant gloves and clothing. (USCG, 1999)

Sicherheitsdaten

tsca
TSCA listed
hs_code
2930.90.4600
RTECS-Nr.
ET4731500
risk_code
23/24/25
Toxizität
LD50 oral in rat: 3478mg/kg
safety_code
26-36/37/39-45

Chemie und Industrie

Pharmakologische Informationen

Mechanism of Action · 1 Eintrag

METHIONINE PRECURSORS & METHIONINE ANALOGS WERE TESTED FOR THEIR ABILITY TO REPLACE OR TO ANTAGONIZE L-METHIONINE IN THE GROWTH OF PHYSARUM POLYCEPHALUM. 2-HYDROXY-4-(METHYLTHIO)BUTANOIC ACID SUPPORTED GROWTH, WHEN SUBSTITUTED FOR L-METHIONINE.

Metabolism/Metabolites · 2 Einträge

CHICK LIVER HOMOGENATES CATALYZED THE OXIDATION OF 2-HYDROXY-4-(METHYLTHIO)BUTANOIC ACID TO KETOMETHIONINE & BOTH CHICK LIVER SUPERNATANTS & RAT LIVER SUPERNATANTS CONVERTED KETOMETHIONINE TO THE HYDROXY DERIVATIVE OR TO METHIONINE.

IN RAT TISSUE, BOTH FLAVINE COENZYME & GLUTAMINE ARE REQUIRED FOR THE CONVERSION OF 2-HYDROXY-4-METHYLTHIOBUTYRIC ACID INTO METHIONINE. PER GRAM OF TISSUE, THE KIDNEY POSSESSES GREATER CONVERSION ACTIVITY THAN THE LIVER, BRAIN, SMALL INTESTINE, & MUSCLE, ALTHOUGH ON A TOTAL ORGAN BASIS THE LIVER IS THE MOST IMPORTANT. MOST OF THE CONVERSION ACTIVITY IS LOCATED IN THE SUPERNATANT FRACTION OF THE LIVER.

Cellular LocationsCytoplasm

Verwendung und Herstellung

Uses · 3 Einträge

Methionine hydroxy analog is used as a livestock dietary supplement; [Merck Index]

Farming (Pesticides) [Category: Industry]

CALCIUM SALT IN POULTRY FEED

Methods of ManufacturingBLAKE, WINEMAN, US PATENTS 2,745,745 AND 2,938,053 (1956 AND 1960 TO MONSANTO)
General Manufacturing InformationButanoic acid, 2-hydroxy-4-(methylthio)-: ACTIVE

Anwendungen

VerwendenMethionine hydroxy analogue

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]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

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