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HCID 247생성일: 2026년 11월 4일

베타인

베타인 · 1-카복시-N,N,N-트라이메틸메탄아미늄, 분자내염 · 베테인 , (트라이메틸암모니오)아세테이트 · 수산화 (카복시메틸)트라이메틸암모늄 분자내염 · 수산화 1-카복시-N,N,N-트라이메틸메탄아미늄, 분자내염 · 수산화 2-(트라이메틸암모니오)에탄산, 분자내염 · 알파-얼레인 · 트라이메틸글라이신

https://huagongshe.com/ko/chemical/247

베타인 분자 구조식

식별자 및 물리적 특성

CAS No.107-43-7
분자식C5H11NO2
평균 분자량117.15 g/mol
단동위원소 질량117.07897859 g/mol
SMILESC[N+](C)(C)CC(=O)[O-]
InChIKeyKWIUHFFTVRNATP-UHFFFAOYSA-N
PubChem CID247
ChEMBLCHEMBL1182
ChEBICHEBI:17750
EC No.203-490-6
DTXSIDDTXSID8022666
현지명베타인

화학 및 물리적 성질

XLogP0.5
극성 표면적40.1
수소 결합 공여자 수0
수소 결합 수용자 수2
회전 가능 결합 수1
무거운 원자 수8
형식 전하0
복잡도87.6
물질 분류Nitrogen Compounds -> Quaternary Amines
화장품Cosmetic ingredients (Betaine) -> CIR (Cosmetic Ingredient Review)AntistaticViscosity controlling
맛Sweet
식품 첨가물FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Color/FormDeliquescent scales or prisms
용해도SolubleSolubility (g/100 g solvent): methanol, 55ethanol, 8.7. Sparingly soluble in ether.Slightly soluble in chloroformIn water, 6.11X10+5 mg/L at 19 °CVery solubleSoluble (in ethanol)메탄올: 0.1 g/mL, 투명
Dietary IngredientsBetaine
Human DrugsFDA approved drugs -> Active ingredientEMA approved medicines: Human medicine
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
녹는점301-305°CDecomposes around 293 °C310 °C (dec.)
증기압0.00000053 [mmHg]0.05Pa at 25℃
Physical DescriptionLiquidDry PowderDeliquescent solid[Merck Index] Powder[Alfa Aesar MSDS]Free-flowing, white crystalsSavoury
끓는 점218.95°C (rough estimate)
밀도1.00 g/mL at 20 °C
굴절률1.4206 (estimate)
FEMA4223 | BETAINE
저장 조건2-8°C
물리적 상태결정 또는 결정성 분말
pKa(산도 계수)1.83(at 0℃)
색상무색의
냄새맛없는
생물학적 소스sugar beets
용해도160g/100mL
Merck14,1179
JECFA Number2265
BRN3537113
안정성안정적인. 흡습성. 강한 산화제와 호환되지 않습니다.
주요 응용향료 및 향
화장품 원료 기능피부 컨디셔닝 - 보습제보습제헤어 컨디셔닝
InChI1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChIKeyKWIUHFFTVRNATP-UHFFFAOYSA-N
SMILESC[N+](C)(C)CC([O-])=O
LogP(분배 계수)-3.1 at 20℃
NISTMethanaminium, 1-carboxy-n,n,n-trimethyl-, hydroxide, inner salt(107-43-7)
EPABetaine (107-43-7)
Absorption≤0.05 at 280nm in methanol at 1M≤0.09 at 260nm in methanol at 1M

안전 및 규제

GHS 분류This chemical does not meet GHS hazard criteria for 90.4% (274 of 303) of all reports.Not ClassifiedAggregated GHS information provided per 303 reports by companies from 5 notifications to the ECHA C&L Inventory.
규제 정보Chemical: Methanaminium, 1-carboxy-N,N,N-trimethyl-, hydroxide, innersaltRegulation (EC) No 2015/2283 Article 10Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt 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)REACH registered substance: Betaine (EC: 203-490-6)Trimethylglycine: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약No evidence of mutagenicity[HSDB] Does not cross the placenta well in animal experiments[REPROTOX] Not irritating to skin or eyes of rabbitsNot sensitizing in guinea pig maximization test[IUCLID] May cause irritation[Alfa Aesar MSDS]
FDA 요건The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl betaine hydrochloride, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Betaine hydrochloride/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: betaine hydrochloride is included in digestive aid drug products. /Betaine hydrochloride/
EPA Safer ChemicalChemical: Betaine
Hazard Classes and CategoriesNot Classified
보관 조건Store below 40 °C (104 °F), preferably between 15 and 30 °C (59 and 86 °F), unless otherwise specified by the manufacturer . Protect from moisture .

용도

개요

무수 베타 인 작용 기작 : 인간에서는 베타 인 무수물 원료 인 API는 메틸기 기증자 및 보조 인자로서 다양한 역할을합니다. 특히 Betaine Anhydrous가 아미노산 호모시스테인 (homocysteine)의 아미노산 메틸화를 도와 줄 때 아미노산은 신체에서 적절히 조절되지 않으면 혈관 및 염증성 문제와 관련이 있습니다. 위의 이유로 베타 인 무수물은 많은 생물학적으로 중요한 분자와 호모 시스테인 수준 조절제의 배합에 필수적인 성분입니다. 또한, Betaine Anhydrous는 삼투압 물질입니다. 크레아틴과 마찬가지로 세포 수화를 촉진합니다. 무수 베타 인은 세포의 완전성과 정상적인 물의 균형을 유지하는데 기여합니다. 무수 베타 인은 불안 / 우울 조절에 이점이있는 것으로 보인다. 그 이유는 메티오닌 재생 과정에서 S- 아데 노일 메티오닌이 증가하기 때문입니다. S-adenoylmethionine은 다양한 연구에서 우울증과 불안증과 관련이 있습니다.

용도

Betaine Hydrochloride (베타 인 Hcl)의 기능 : 1. 심장병 퇴치 또는 예방 2. 신체 조성을 개선하십시오. 간 해독과 우리 신체의 일부 세포 기능을 도와주세요. 3. 근육 강화 및 지방 손실을 촉진하십시오. Betaine Hydrochloride (Betaine Hcl)는 자연적으로 존재하는 화합물입니다. osmoregulation에있는 그것의 역할을 위해 관심사의 계속있다. 베타 인 하이드로 클로라이드 (Betaine Hcl)는 hypochlorhydria의 치료에서 염산의 공급원으로 사용되었습니다. Betaine은 또한 간 질환의 치료, 고칼륨 혈증, 호모 시스틴 뇨증 및 위장 장애에 사용되었습니다. Betaine Hydrochloride (Betaine Hcl)는 사탕무 및 기타 식물에서 발생하는 결정질 알칼로이드 인 베타 인의 염산염 형태입니다. Transethylating metabolic 중간체 역할을하는 Betaine 은 콜린 의 산화 생성물입니다. 베타 인 하이드로 클로라이드는 위산 산성 보충제로 사용됩니다. Betaine 은 여러 가지 대사 경로에서 메틸 기증자 역할을하는 3 개의 메틸기를 가진 글리신 으로 구성된 변형 된 아미노산이며 호모 시스틴뇨증의 드문 유전 적 원인을 치료하는 데 사용됩니다. 베타 인 은 임상 적 사용이 제한적 이었으나 치료 중 또는 임상 적으로 명백한 간 손상에 대한 혈청 효소 상승의 사례와 관련이 없었다.

개요

Betaine is a natural compound extracted from Beta vulgaris, widely present in both leaves and roots. Within plants, betaine is synthesised through a two-step oxidation of choline within chloroplasts. The first step converts choline into betaine aldehyde, a rate-limiting step catalysed by choline monooxygenase. The second step converts betaine aldehyde to betaine, catalysed by betaine aldehyde dehydrogenase [1]. It possesses certain pharmacological activities and may be employed to treat deficiencies or defects in specific enzymes leading to hyperhomocysteinemia in blood and urine. This medication facilitates the removal of excess homocysteine from the body.[1] TAKABE T, TANAKA Y, TAKABE T. CHAPTER 2:Betaine in Sugar Beet[C]. 2015: 0. DOI:10.1039/9781782628446-00009.

용도

betaine is a surfactant, humectant, and excellent skin conditioner. It is also used to build product viscosity and as a foam booster. It is found mostly in skin cleansers, shampoos, and bath products.

일반 설명

Betaine also called trimethylglycine or N,N,N triethylammonium acetate, is an analog of glycine with three methyl groups. It is highly compatible with polymerase chain reaction (PCR) buffer mixture. Betaine is a PCR enhancing reagent that is widely used for improving the yield and specificity of PCR products, especially during the PCR amplification of targets rich in GC content or those that form secondary structures resulting in poor yield. Betaine facilitates DNA strand separation and manages the DNA melting temperature (Tm) difference between the GC and AT pairs in DNA. It stabilizes the ds DNA by equalizing the contribution of GC- and AT-base pairs. Betaine has been broadly used to optimize multiplex and ‘long and accurate′ polymerase chain reaction (LA-PCR). The addition of 1.0-1.7 M aqueous betaine to a PCR mixture has been reported to reduce the base pair composition dependence on DNA strand melting.

처리 방법SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
상호 작용The aim of this study was to assess the pharmacokinetics of orally administered betaine and its acute effect on plasma total homocysteine (tHcy) concentrations. Healthy volunteers (n = 103 men, 7 women) with normal body weight (mean + or - SD, 69.5 + or - 17.0 kg), 40.8 + or - 12.4 yr old, participated in the study. The betaine doses were 1, 3, and 6 g. The doses were mixed with 150 mL of orange juice and ingested after a 12-hr overnight fast by each volunteer according to a randomized double-blind crossover design. Blood samples were drawn for 24 hr and a 24-hr urine collection was performed. Orally administered betaine had an immediate and dose-dependent effect on serum betaine concentration. Single doses of 3 and 6 g lowered plasma tHcy concentrations (P = 0.019 and P < 0.001, respectively), unlike the 1-g dose. After the highest dose, the concentrations remained low during the 24 hr of monitoring. The change in plasma tHcy concentration was linearly associated with betaine dose (P = 0.006) and serum betaine concentration (R2 = 0.17, P = 0.025). The absorption and elimination of betaine were dose dependent. The urinary excretion of betaine seemed to increase with an increasing betaine dose, although a very small proportion of ingested betaine was excreted via urine. In conclusion, a single dose of orally administered betaine had an acute and dose-dependent effect on serum betaine concentration and resulted in lowered plasma tHcy concentrations within 2 hr in healthy subjects.The prophylactic efficiency of taurine or betaine pretreatment for the prevention of peroxidative changes induced by lipopolysaccharide treatment in the rat liver was investigated ... Lipopolysaccharide (10 mg/kg intraperitoneally) was given to rats pretreated with taurine (1.5%, w/v) or betaine (1.5%, w/v) in drinking water for 4 weeks and plasma transaminase activities as well as hepatic malondialdehyde, diene conjugate (DC), glutathione, alpha-tocopherol and ascorbic acid levels, and superoxide dismutase (SOD) and glutathione peroxidase activities were determined ... Significant increases in plasma transaminase activities and hepatic malondialdehyde and DC levels and decreases in hepatic glutathione and alpha-tocopherol levels and SOD and glutathione peroxidase activities were observed 6 h after lipopolysaccharide treatment. This treatment did not alter ascorbic acid levels in the liver compared with controls. Taurine or betaine pretreatment in lipopolysaccharide-injected rats caused significant decreases in plasma transaminase activities and hepatic malondialdehyde and DC levels, and significant increases in glutathione and alpha-tocopherol (not betaine) levels without changing ascorbic acid levels and SOD and glutathione peroxidase activities in the liver ... /According to the authors/ taurine or betaine pretreatment was effective in the prevention of lipopolysaccharide-induced hepatotoxicity and prooxidant status.Concomitant use of betaine and folic acid may be additive with regard to the possible lowering of serum homocysteine levels.... Remethylation of homocysteine to methionine can occur through either the folate-dependent methionine synthase pathway or the betaine-dependent betaine-homocysteine methyltransferase pathway. The relevance of betaine as a determinant of fasting total homocysteine (tHcy) is not known, nor is it known how the 2 remethylation pathways are interrelated ... The objectives of the study were to examine the relation between plasma betaine concentration and fasting plasma tHcy concentrations and to assess the effect of folic acid supplementation on betaine concentrations in healthy subjects ... A double-blind randomized trial of 6 incremental daily doses of folic acid (50-800 ug/day) or placebo was carried out in 308 Dutch men and postmenopausal women (aged 50 to 75 yr). Fasted blood concentrations of tHcy, betaine, choline, dimethylglycine, and folate were measured at baseline and after 12 wk of vitamin supplementation ... Concentrations of tHcy were inversely related to the betaine concentration (r = -0.17, P < 0.01), and the association was independent of age, sex, and serum concentrations of folate, creatinine, and cobalamin. Folic acid supplementation increased betaine concentration in a dose-dependent manner (P for trend = 0.018)the maximum increase (15%) was obtained at daily doses of 400 to 800 ug/day ... /The authors condluded/ the plasma betaine concentration is a significant determinant of fasting tHcy concentrations in healthy humans. Folic acid supplementation increases the betaine concentration, which indicates that the 2 remethylation pathways are interrelated.
HepatotoxicityIn small, open label trials of betaine therapy for homocystinuria as well as in small controlled trials of betaine in other conditions (Alzheimer disease, nonalcoholic steatohepatitis), serum enzyme elevations and clinically apparent liver injury were not reported. Indeed, in some studies, betaine has been associated with significant declines in preexisting serum enzyme elevations in a proportion of patients with nonalcoholic fatty liver disease.
환경 거동TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 3(SRC), determined from a water solubility of 611,000 mg/L at 19.3 °C(2) and a regression-derived equation(3), indicates that betaine is expected to have very high mobility in soil(SRC). The estimated pKa of betaine, an inner salt, is 2.38(4). Volatilization of betaine from moist soil surfaces is not expected to be an important fate process(SRC) because ionic compounds do not volatilize. Betaine is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.4X10-8 mm Hg(SRC), determined from a fragment constant method(5). No information on the aerobic biodegradation of betaine was locatedhowever, the mineralization of alkyl betaine surfactants is considerable (>60% BODT reached in 28-day screening tests(6,7)) indicating that it is likely that betaine is also readily mineralized(SRC). Betaine is expected to biodegrade under anaerobic conditions as well based on data indicating that it is removed during anaerobic sewage treatment(8).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 3(SRC), determined from a water solubility of 611,000 mg/L at 19.3 °C(2) and a regression-derived equation(3), indicates that betaine is not expected to adsorb to suspended solids and sediment(SRC). An estimated pKa of 2.38(4) indicates betaine, will exist entirely as an inner salt at pH values of 5 to 9 and therefore volatilization from water surfaces will not occur as ionic compounds do not volatilize. According to a classification scheme(5), an estimated BCF of 0.3(SRC), from its water solubility(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). No information on the aerobic biodegradation of betaine was locatedhowever, the mineralization of alkyl betaine surfactants is considerable (>60% BODT reached in 28-day screening tests(7,8)) indicating that it is likely that betaine is also readily mineralized(SRC). Betaine is expected to biodegrade under anaerobic conditions as well based on data indicating that it is removed during anaerobic sewage treatment(9).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), betaine, which has an estimated vapor pressure of 1.4X10-8 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase betaine may be removed from the air by wet or dry deposition(SRC). Betaine does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(3).
식품 조사 수치The betaine concentration of over 400 foods in the U.S. was measured. Concentrations ranged from 0.3 to 1.9 mg/100 g food for 26 dairy and egg products, 0.4 to 28.8 mg/100 g food for 16 spices, 0 to 1.8 mg/100 g food for 7 samples of fats and oils, 1.8 to 23.3 mg/100 g food for 16 samples of chicken and turkey, 2.1 to 10.4 mg/100 g for 18 sausage and luncheon meats, 0.5 to 1396.1 mg/100 g for 15 samples of breakfast cereals, 0.1 to 0.8 mg/100 g for 35 fruits, 0.2 to 4.2 mg/100 g food for 10 pork product samples, 0.1 to 808.6 mg/100 g food for 62 vegetable products with beets and spinach containing significantly more betaine than other vegetables, 0.3 to 11.2 mg/100 g food for 12 nut and seed products, 6.3 to 12.8 mg/100 g food for 15 beef products, 0.1 to 8.1 mg/100 g food for 12 beverages, 2.1 to 62.1 mg/100 g food for 11 finfish and shellfish products, 0.1 to 39.6 mg/100 g food for 21 legumes and legume products, 7.6 to 33.9 mg/100 g food for 4 lamb, veal and game samples, 0.4 to 244.1 mg/100 g food for 43 baked products, 0.1 to 6.1 mg/100 g food for 20 sugars and sweets products, 0.3 to 1506.8 for 13 samples of cereal grains and pasta products, 0.5 to 98.2 mg/100 g for 50 samples of fast foods, 0.1 to 21.6 mg/100 g for 10 snacks (pretzels were 295.1 mg/100 g food)(1).
Milk ConcentrationsENVIRONMENTAL: Concentrations of betaine in 5 samples of milk ranged from 0.6 to 1.9 mg/100 g milk(1).
독성 요약The CIR Expert Panel concluded that the eleven alkyl betaines listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Betaine...Safe for use in cosmetics, with qualifications
Effluent ConcentrationsBetaine was detected in the effluent of processes using sugar-beet molasses as a substrate at concentrations up to 4.5 g/dm-3(1).
Soil Adsorption/MobilityThe Koc of betaine is estimated as 3(SRC), using a water solubility of 611,000 mg/L at 19.3 °C(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that betaine is expected to have very high mobility in soil. The estimated pKa of betaine, an inner salt, is 2.38(4).
Natural Pollution SourcesBetaine is widely distributed in both plants and animals(1) as a nonproteinogenic amino acid(2).
Artificial Pollution SourcesBetaine's production and use in soldering, resin curing fluxes, organic synthesis and in the treatment of homocystinuria(1) and as a lipotrophic drug(2) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationAEROBIC: No data on the aerobic biodegradation of betaine was located however, amphoteric surfactants based on the betaine structure have been shown to be mineralized to a significant extent. For example, C12-C14 alkyl betaine surfactants were shown to be readily biodegradable in 28-day closed bottle screening tests reaching >60% of the theoretical oxygen demand over this period(1,2).ANAEROBIC: Betaine was nearly completely degraded in two full-scale anaerobic treatment plants(1).
Drug Induced Liver InjuryDrug Induced Liver Injury Rank (DILIrank 2.0)BetainevNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015
수질 위해 등급(WGK)3
TSCA 등재 상태TSCA listed
RTECS 번호DS5900000
관세 코드29239000
위험 문구(R)20/21/22-36/37/38
위험 표시Xn
안전 문구(S)24/25-36-26
기존화학 물질2013-3-5614
F 고인화성물질3-10
저장 분류11 - Combustible Solids
유해 물질 데이터107-43-7(Hazardous Substances Data)