2-하이드록시-4-(메틸싸이오)뷰탄산

alpha-Hydroxy-gamma-methylmercaptobutyric acid

HCID 11427CAS 120-91-2

기본 정보

표준 SMILES
CSCCC(O)C(=O)O
InChIKey
ONFOSYPQQXJWGS-UHFFFAOYSA-N
분자식
C5H10O3S
평균 분자량
150.2 g/mol
단동위원소 질량
150.03506518

개요

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

이름 및 식별자

우선 이름
alpha-Hydroxy-gamma-methylmercaptobutyric acid
IUPAC
2-hydroxy-4-methylsulfanylbutanoic acid
현지명
2-하이드록시-4-(메틸싸이오)뷰탄산
영어명
2-Hydroxy-4-(methylthio)butyric acid
분자식
C5H10O3S
분자량
150.2

이름 및 동의어

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)-
이름 더 보기
2-하이드록시-4-(메틸싸이오)뷰탄산HMTBAmhaacidHMTBA-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
0.2
극성 표면적
82.8 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
9

실험 및 물리화학적 성질

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]

물리화학적 성질

끓는 점
74 °C · 74°C
밀도
1.277 · 1.277±0.06 g/cm3 | Condition: Temp: 20 °C Press: 760 Torr
굴절률
1.5151 · 1.5151 (estimate)
저장 조건
Inert atmosphere,Room Temperature
용해도
0 · Soluble in DMSO:0.0(Max Conc. mg/mL);0.0(Max Conc. mM)
산도 계수 (pKa)
3.67 · 3.67±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

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

유해성 정보

Regulatory Information · 2건

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 · 1건

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.

안전 및 보호

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)

안전 데이터

tsca
TSCA listed
rtecs
ET4731500
독성
LD50 oral in rat: 3478mg/kg
HS 번호
2930.90.4600
risk_code
23/24/25
safety_code
26-36/37/39-45

화학 및 산업

약리 정보

Mechanism of Action · 1건

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 · 2건

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

용도 및 제조

Uses · 3건

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

응용 분야

용도Methionine hydroxy analogue

일반 설명Light brown liquid.

공급사50 곳

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]

관련 반응

11건

연결된 노트

불러오는 중…