Tributyrin
GLYCERYL TRIBUTYRATE · GLYCEROL TRIBUTYRATE · FEMA 2223 · BUTYRIN · C4:0 · Glycerol tributanoate · C15H26O6 · Tributyroin
식별자 및 물리적 특성
| CAS No. | 60-01-5 |
|---|---|
| 분자식 | C15H26O6 |
| 평균 분자량 | 302.36 g/mol |
| 단동위원소 질량 | 302.17293855 g/mol |
| SMILES | CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC |
| InChIKey | UYXTWWCETRIEDR-UHFFFAOYSA-N |
| PubChem CID | 6050 |
| ChEMBL | CHEMBL118722 |
| ChEBI | CHEBI:35020 |
| EC No. | 200-451-5 |
| DTXSID | DTXSID4052267 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 78.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 14 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 304 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Boiling point |
| LogP(분배 계수) | log Kow = 2.54 |
| 냄새 | FRUITY, BUTTERY100.00%에서. 치즈 왁스 같은 크림 같은 지방 |
| 맛 | Bitter taste |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT, SOLVENT OR VEHICLE -> FDA Substance added to food |
| 밀도 | 1.032 at 20 °C1.034-1.0371.0335 |
| 향미제 | EU Flavoring substances |
| Color/Form | COLORLESSOily liquid |
| 용해도 | SOL IN ACETONE, BENZENEVery soluble in alcohol and etherIn water, 133 mg/L at 37 °C0.133 mg/mL at 37 °Cinsoluble in watersoluble in organic solvents, oilsmiscible (in ethanol)H2O: 불용성 |
| 인화점 | 356 °F180 °C (Open cup)345 °F |
| 끓는 점 | 307 °C308 °C305 °C |
| 녹는점 | -75 °C |
| 굴절률 | n20/D 1.435(lit.) |
| FEMA | 2223 | (TRI-)BUTYRIN |
| 저장 조건 | Store at RT. |
| 물리적 상태 | 액체 |
| 색상 | 무색~황색으로 투명함 |
| 향취 유형 | 치즈맛이 나는 |
| 생물학적 소스 | synthetic |
| 용해도 | 물과 섞이지 않습니다. |
| JECFA Number | 922 |
| Merck | 14,9620 |
| BRN | 1714746 |
| 헨리 상수 | 1.0×103 mol/(m3Pa) at 25℃, HSDB (2015) |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. |
| 주요 응용 | 음식 및 음료 |
| InChI | 1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3 |
| InChIKey | UYXTWWCETRIEDR-UHFFFAOYSA-N |
| SMILES | CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC |
| LogP(분배 계수) | 2.95 |
| EPA | Tributyrin (60-01-5) |
화학적 성질
Tributyrin is a colorless, oily liquid with a bitter taste. It is soluble in alcohol and ether and fairly insoluble in water.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (119 of 119) of all reports.Not ClassifiedAggregated GHS information provided per 119 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Butanoic acid, 1,2,3-propanetriyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Butanoic acid, 1,2,3-propanetriyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Butanoic acid, 1,2,3-propanetriyl ester: Human health tier I assessment |
| FDA 요건 | Substance added directly to human food affirmed as generally recognized as safe (GRAS).Synthetic flavoring substances and adjuvants /for animal drugs, feeds, and related products/ that are generally recognized as safe for their intended use, within the meaning of section 409 of the Act. Tributyrin is included on this list. |
| Flammable Limits | Lower flammable limit: 0.5% (by volume) @ 406 °F (208 °C) |
| NFPA Hazard Classification | 0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.0 - Materials that in themselves are normally stable, even under fire conditions. |
| Hazard Classes and Categories | Not Classified |
| 정리 방법 | AEROBIC: Tributyrin is oxidized by activated sludge with a measured oxygen uptake of 300 mg/L in 7 days(1). Activated sludge at a concn of 2,500 mg/L, was exposed to tributyrin using a Warburg constant temperature respirometeroxygen uptake was used to determine amount of degradation of the tributyrin(1). Nocardia erythropolis, which readily degrades several phthalate esters, has been shown to be twice as active against tributyrin(2). |
| 처리 방법 | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality |
용도
개요
Tributyrin (C15H26O6), also known as butyrin or glyceryl tributyrate, is the triester of glycerin and butyric acid. It is prepared by esterifcation of glycerin with excess butyric acid. Glycerol tributyrate has a characteristic odor and a bitter taste.
용도
Tributyrin is a flavoring agent that is the triester of glycerin and butyric acid. it is prepared by esterification of glycerin with excess butyric acid. it is used in the following foods: baked goods; alcoholic beverages; nonalcoholic beverages; fats and oils; frozen dairy des- serts and mixes; gelatins, puddings and fillings; and soft candy. it is also termed butyrin and glyceryl tributyrate.
일반 설명
Tributyrin is a short-chain triacylglycerol that mainly occurs in butter. It shows potent anti-cancer property.
제조 및 합성 방법
제조 방법
Prepared by esterifcation of glycerol with excess butyric acid.
생산 방법
Tributyrin is manufactured via esterification of glycerol with butyric acid.