염산싸이아민
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식별자 및 물리적 특성
| CAS No. | 67-03-8 |
|---|---|
| 분자식 | C12H17N4OS.ClH.Cl |
| 평균 분자량 | 337.3 g/mol |
| 단동위원소 질량 | 336.05783756 g/mol |
| SMILES | Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cl.[Cl-] |
| InChIKey | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
| PubChem CID | 6202 |
| ChEMBL | CHEMBL1200941 |
| ChEBI | CHEBI:49105 |
| EC No. | 200-641-8 |
| DTXSID | DTXSID0040622 |
| 현지명 | 염산싸이아민 |
화학 및 물리적 성질
| 극성 표면적 | 104 |
|---|---|
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 268 |
| 물질 분류 | Biological Agents -> Vitamins and Derivatives |
| 화장품 | Skin conditioning |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT, NUTRIENT SUPPLEMENT -> FDA Substance added to food |
| 향미제 | EU Flavoring substances |
| 용해도 | Soluble in water, propylene glycolInsoluble in ether, benzene, hexane, chloroformSlightly soluble (in ethanol)H2O: 0.1 g/mL at 20 °C, 투명, 무색 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Physical Description | Solid with a mild thiazole odor[Merck Index] White to light yellow crystalline powderHygroscopic[Alfa Aesar MSDS]Small white to yellowish crystals or crystalline powderslight characteristic odour reminescent of thiazole |
| 녹는점 | 250 °C (dec.)(lit.) |
| 밀도 | 1.3766 (rough estimate) |
| 굴절률 | 1.6000 (estimate) |
| FEMA | 3322 | THIAMINE HYDROCHLORIDE |
| 인화점 | 9°C |
| 저장 조건 | room temp |
| pKa(산도 계수) | pKa 4.8 (Uncertain)9.0 (Uncertain) |
| 물리적 상태 | 결정성 분말 |
| 색상 | 흰색에서 거의 흰색 |
| pH | 2.7-3.3 |
| 냄새 | 신맛 온화한 쓴맛 |
| 향취 유형 | 온화한 |
| 생물학적 소스 | synthetic (organic) |
| 용해도 | 1g/mL |
| Merck | 14,9295 |
| JECFA Number | 1030 |
| BRN | 3851771 |
| BCS Class | 3 |
| 안정성 | 안정적인. 타기 쉬운. 강한 산화제, 강한 환원제와 호환되지 않습니다. |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 피부 컨디셔닝향기 |
| InChI | 1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)2*1H/q+1/p-1 |
| InChIKey | DPJRMOMPQZCRJU-UHFFFAOYSA-M |
| SMILES | CC1=NC(N)=C(C[N+]2=CSC(CCO)=C2C)C=N1.Cl.[Cl-] |
| LogP(분배 계수) | -3.93 |
| EPA | Thiamine hydrochloride (67-03-8) |
화학적 성질
Thiamine hydrochloride, also known as vitamin B1, is a white or almost white, crystalline powder or colorless crystals. It has an odor slightly reminiscent of thiazole and a bitter taste. Very soluble in water (1g dissolved in 1mL of water at 20℃), slightly soluble in ethanol, and insoluble in ether, benzene, chloroform, and acetone. The oxidation-reduction reaction can cause it to lose activity. When exposed to air, the vitamin rapidly absorbs about 4% of water.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 66.2% (247 of 373) of all reports.WarningH319 (33.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 373 reports by companies from 12 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1)Regulation (EC) No 1831/2003 (amended)Status: Active Update: 16-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/26096Thiamine hydrochloride: Non hazardous |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| 유해성 요약 | Forms a hydrate on absorbing water from atmospheric humidity[Merck Index] Safe when used as a flavoring agent in food[JECFA] A skin and strong eye irritant[Alfa Aesar MSDS] See Thiamine. |
| Hazard Classes and Categories | Eye Irrit. 2 (33.2%) |
| 건강 영향 | There are no reports available of adverse effects from consumption of excess thiamine by ingestion of food and supplements. [Wikipedia] |
| 노출 경로 | Oralparenteral (intravenous, intramuscular). Absorbed mainly from duodenum, by both active and passive processes |
| 독성 요약 | It is thought that the mechanism of action of thiamine on endothelial cells is related to a reduction in intracellular protein glycation by redirecting the glycolytic flux. Thiamine is mainly the transport form of the vitamin, while the active forms are phosphorylated thiamine derivatives. There are five known natural thiamine phosphate derivatives: thiamine monophosphate (ThMP), thiamine diphosphate (ThDP), also sometimes called thiamine pyrophosphate (TPP), thiamine triphosphate (ThTP), and the recently discovered adenosine thiamine triphosphate (AThTP), and adenosine thiamine diphosphate. Each derivative has unique functions, however, most are involved as coenzymes. |
용도
개요
비타민 B1이라고도하는 티아민은 탄수화물 대사에 필요한 이상한 영양소입니다. 비타민 B1은 또한 신경 기능에 관여합니다.
용도
Thiamine Hydrochloride (비타민 B1 Hcl), Thiamine Nitrate (비타민 B1 모노 나이트 레이트)는 항산화 활성 및 적혈구 생성 특성을 갖는 비타민입니다. 그것은 또한 인식과 기분 조절, 항 죽상 경화증 같은 능력을 가질 것입니다. Thiamine Hcl은 간 및 신장에서 납의 유도 된 지질 과산화를 방지하는 것으로 입증되었습니다. 비타민 B1 염산염 결핍은 일부 동물 실험에서 선택적인 신경 세포 죽음을 초래할 수 있습니다. 신경 세포의 죽음은 자유 라디칼 생성 증가와 관련이 있으며 이는 산화 스트레스가 티아민 염산염 결핍과 관련된 뇌 손상에 중요한 역할을한다는 것을 시사한다. Thiamine Hcl은 세포 내 포도당 대사에 중요한 역할을하며, 티아민은 포도당과 인슐린이 동맥 평활근 세포 증식에 미치는 영향을 억제한다고 생각됩니다. 이 효과는 아테롬성 경화증을 촉진시킬 수 있습니다. 비타민 B1 염산염 (티아민 Hcl) 내피 세포에 포도당의이 효력을 금한다.
개요
Thiamine Hydrochloride is the hydrochloride salt form of thiamine (vitamin B1), a vitamin essential for aerobic metabolism, cell growth, transmission of nerve impulses and acetylcholine synthesis. Vitamin B1 helps prevent various health problems including heart damage.Thiamine hydrochloride is used to prevent and treat thiamine deficiency states, which may occur as a result of inadequate nutrition or intestinal malabsorption. It is also used for the treatment of Wernicke-Korsakoff syndrome, beriberi and thiamine deficiency related to chronic alcoholism. Thiamine hydrochloride is used as a food additive to add brothy/meaty flavor to gravies or soups. It is used also as a food supplement and flavoring ingredient with a bitter taste.
출처
Rice husks are reportedly the principal source of vitamin B1; in variable amounts it is a constituent of yeast, milk, green leaves, roots and tubers; it is also present in high concentration in seeds, and in lesser amount in different animal organs and muscles.
역사
Thiamine hydrochloride was the first water-soluble vitamin to be purified. In 1912, Cashmir Funk isolated thiamine from rice husks and coined the term ‘vitamine’ because it was required for life (‘vita’) and because thiamine contained nitrogen (‘amine’). Thiamine, formerly known as B1, is water soluble. Thiamine is a vital cofactor for enzymes and coenzymes of glycolysis, the Kreb’s cycle, the pentose phosphate pathway. Thiamine is also involved in the biosynthesis of the neurotransmitters acetylcholine and gamma-aminobutyric acid and in nerve propagation.
용도
Thiamine is the water-soluble vitamin b1, required for normal digestion and functioning of nerve tissues and in the prevention of beriberi. It also acts as a coenzyme in the metabolism of carbohydrates. During processing, the higher and longer the heating period, the greater the loss. The loss is reduced in the presence of acid. Thiamine hydrochloride and thiamine mononitrate are two available forms. The mononitrate form is less hygroscopic and more stable than the hydrochloride form, making it suitable for use in beverage powders. It is used in enriched flour and is found as thiamine mononitrite in frozen egg substitute and crackers.
제조 및 합성 방법
제조 방법
By linking the preformed thiazole and pyrimidine ring system.