DL-이소류신

DL-이소류신 · 2-AMINO-3-METHYLPENTANOIC ACID · FEMA 3295 · H-DL-ILE-OH · (2RS,3RS)-2-Amino-3-methylpentanoic acid · DL-Isoleucine (mixture of 4 stereoisomers) · DL-Ile-OH · H-DL-lle-OH

https://huagongshe.com/ko/chemical/6306

식별자 및 물리적 특성

CAS No.	443-79-8
분자식	C6H13NO2
평균 분자량	131.17 g/mol
단동위원소 질량	131.09462866 g/mol
SMILES	CC[C@H](C)[C@H](N)C(=O)O
InChIKey	AGPKZVBTJJNPAG-WHFBIAKZSA-N
PubChem CID	6306
ChEMBL	CHEMBL1233584
ChEBI	CHEBI:17191
EC No.	200-798-2
DTXSID	DTXSID2046882
현지명	DL-이소류신

화학 및 물리적 성질

XLogP	-1.7
극성 표면적	63.3
수소 결합 공여자 수	2
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	9
형식 전하	0
복잡도	103
물질 분류	Biological Agents -> Amino Acids and Derivatives
지질	Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
화장품	Cosmetic ingredients (Isoleucine) -> CIR (Cosmetic Ingredient Review)Hair dyeingAntistaticSkin conditioning
LogP(분배 계수)	log Kow = -1.72-1.70
맛	Bitter
식품 첨가물	FLAVORING AGENT OR ADJUVANT, NUTRIENT SUPPLEMENT -> FDA Substance added to food
Color/Form	Waxy, shiny, rhombic leaflets from alcoholCrystals
용해도	Glistening rhombic or monoclinic plates from dilute alcohol. Decomposes at 292 °C. pK1 = 2.32pK2 = 9.76. Solubility in water (g/L): 18.3 at 0 °C22.3 at 25 °C30.3 at 50 °C46.1 at 75 °C78.0 at 100 °C /Isoleucine, DL-form/Sparingly soluble in hot alcohol (0.13% wt/wt at 80 °C), hot acetic acid. Insoluble in ether.Solubility in water (g/L): 37.9 at 0 °C41.2 at 25 °C48.2 at 50 °C60.8 at 75 °C82.6 at 100 °CIn water, 3.44X10+4 mg/L at 25 °C35 mg/mL
Dietary Ingredients	Isoleucine
끓는 점	Sublimes at 168-170 °C225.8±23.0 °C(Predicted)
Decomposition	When heated to decomposition, it emits toxic fumes of /nitric oxide/.
녹는점	284 °C (decomposes)285.5 °C290 °C (dec.) (lit.)
밀도	1.2930 (estimate)
굴절률	1.4630 (estimate)
FEMA	3295 \| D,L-ISOLEUCINE
저장 조건	Keep in dark place,Inert atmosphere,Room temperature
pKa(산도 계수)	pKa: 9.758(25°C)
물리적 상태	가루
색상	하얀색
냄새	100.00%에서. 냄새 없는
향취 유형	냄새 없는
생물학적 소스	synthetic
용해도	22.3g/L(25℃)
Merck	14,5179
JECFA Number	1422
BRN	1721796
안정성	안정적인. 강한 산화제와 호환되지 않습니다.
주요 응용	향료 및 향
화장품 원료 기능	피부 컨디셔닝대전방지제헤어 컨디셔닝
InChI	1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m1/s1
InChIKey	AGPKZVBTJJNPAG-UHFFFAOYSA-N
SMILES	CC[C@@H](C)[C@@H](N)C(O)=O
LogP(분배 계수)	0.73
NIST	DL-Isoleucine(443-79-8)
EPA	Isoleucine (443-79-8)

화학적 성질

dl-Isoleucine has a caramel, maple syrup odor and slightly bitter taste

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 98.8% (169 of 171) of all reports.Not ClassifiedAggregated GHS information provided per 171 reports by companies from 3 notifications to the ECHA C&L Inventory.
규제 정보	Chemical: L-IsoleucineRegulation (EC) No 1831/2003 (amended)L-Isoleucine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of L-Isoleucine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 07-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20720Isoleucine: Does not have an individual approval but may be used under an appropriate group standardL-Isoleucine: Does not have an individual approval but may be used under an appropriate group standard
기타 안전 정보	IMAP assessments - L-Isoleucine: Environment tier I assessment
유해성 요약	May cause irritationShown to have tumor promoting activity for bladder carcinomas[Sigma-Aldrich MSDS]
FDA 요건	L-Isoleucine is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity of the substance added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) any substance intended for use in or on food is of appropriate food grade and is prepared and handled as a food ingredient.Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: isoleucine is included in weight control drug products.Isoleucine used as a nutrient and/or dietary supplement in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice.
Special Reports	NAS, Food and Nutrition Board, Institute of MedicineDietary Reference Intakes for Energy, Carbohydrate, Fiber, Fat, Fatty Acids, Cholesterol, Protein, and Amino Acids (Macronutrients). National Academy Press, Washington, D.C. (2009). [Table#7488]

용도

개요

dl-Isoleucine is flavorless. It may be prepared from the corresponding aldehyde by Bucherer’s reaction.

제조 및 합성 방법

제조 방법

From the corresponding aldehyde by Bucherer’s reaction.