트리아세틴
트라이아세틴 · 글리세릴트리아세트산 · 트리아세틴 · 트리아세틸글리세린: · 글리세롤트라이아세테이트 · 1,3-다이아세틸옥시프로판-2-일 아세테이트 · 글리세롤 트라이아세테이트 · 글리세릴 트라이아세테이트
식별자 및 물리적 특성
| CAS No. | 102-76-1 |
|---|---|
| 분자식 | C9H14O6 |
| 평균 분자량 | 218.2 g/mol |
| 단동위원소 질량 | 218.07903817 g/mol |
| SMILES | CC(=O)OCC(COC(C)=O)OC(C)=O |
| InChIKey | URAYPUMNDPQOKB-UHFFFAOYSA-N |
| PubChem CID | 5541 |
| ChEMBL | CHEMBL1489254 |
| ChEBI | CHEBI:9661 |
| EC No. | 203-051-9 |
| DTXSID | DTXSID3026691 |
| 현지명 | 트리아세틴 |
화학 및 물리적 성질
| XLogP | 0.2 |
|---|---|
| 극성 표면적 | 78.9 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 229 |
| 물질 분류 | Other Classes -> Esters, Other |
| 지질 | Lipids -> Glycerolipids [GL] -> Triradylglycerols [GL03] -> Triacylglycerols [GL0301] |
| Polymers | Plastics -> PVC (soft)Plastics -> Plasticisers |
| 화장품 | Cosmetic ingredients (Triacetin) -> CIR (Cosmetic Ingredient Review)AntimicrobialSolventFilm formingPlasticiserHair dyeing |
| SpringerMaterials Properties | Boiling point |
| 향료 | Fragrance Ingredient ((tri-)Acetin) -> IFRA transparency List |
| LogP(분배 계수) | log Kow = 0.250.21 |
| 냄새 | Slightly fatty odorSlightly fruity or fatty odor특유의 냄새 |
| Plasticizers | Plasticizer |
| 맛 | MILD, SWEET TASTE, BITTER ABOVE 0.05%Bitter tasteSlightly fatty taste |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT, FORMULATION AID, HUMECTANT, MASTICATORY SUBSTANCE, PROCESSING AID, SOLVENT OR VEHICLE, SURFACE-FINISHING AGENT -> FDA Substance added to food |
| 밀도 | 1.1583 g/cu cm at 20 °CBulk density: 9.7 lb/galRelative density (water = 1): 1.161.154-1.1591.1562 @25 °C1.16 g/mL at 25 °C(lit.) |
| 녹는점 | 3 °C(lit.) |
| 끓는 점 | 258-260 °C(lit.) |
| 증기 밀도 | 7.52 (vs air) |
| 증기압 | 0.00248 mm Hg @ 250C |
| 굴절률 | n25/D 1.429-1.431(lit.) |
| FEMA | 2007 | (TRI-)ACETIN |
| 인화점 | 300 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 물에 용해되며 에탄올(96%) 및 톨루엔과 혼합됩니다. |
| 물리적 상태 | 액체 |
| 색상 | 무색의 |
| pH | 5.0-6.0 (20°C, 50g/L in H2O) |
| 폭발한계 | 1.05%, 189°F |
| 생물학적 소스 | synthetic |
| 향취 유형 | 과일 같은 |
| 용해도 | 64.0g/L(20℃) |
| 비열 | Cp(liquid): 1.76 J/(g·K), at 25℃ |
| JECFA Number | 920 |
| Merck | 14,9589 |
| BRN | 1792353 |
| 헨리 상수 | 8.0×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 유전율 | 7.2(20℃) |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. 타기 쉬운. |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 가소제용제필름 형성제향기항균 |
| InChI | 1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3 |
| InChIKey | URAYPUMNDPQOKB-UHFFFAOYSA-N |
| SMILES | CC(=O)OCC(COC(C)=O)OC(C)=O |
| LogP(분배 계수) | 0.25 |
| NIST | 1,2,3-Propanetriol, triacetate(102-76-1) |
| EPA | Glyceryl triacetate (102-76-1) |
화학적 성질
Triacetin is a colorless, viscous liquid with a slightly fatty odor.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 99.8% (1973 of 1977) of all reports.Not ClassifiedAggregated GHS information provided per 1977 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 1,2,3-Propanetriol, triacetate1,2,3-Propanetriol, 1,2,3-triacetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,3-Propanetriol, 1,2,3-triacetate 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: 08-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15139Glyceryl triacetate: Non hazardous |
| 기타 안전 정보 | IMAP assessments - 1,2,3-Propanetriol, triacetate: Human health tier I assessment |
| 화재 위험 | Combustible. |
| 화재 가능성 | Combustible when exposed to heat, flame, or powerful oxidizers. |
| 유해성 요약 | A mild skin irritant[ICSC] An eye irritant[HSDB] Causes somnolence, spastic paralysis, and convulsions in lethal dose animal experiments[RTECS] Tends to hydrolyze into acetic acid and glycerol both in the environment and in the body[ToxPlanet: CPS&Q: IUCLID] May cause eye irritation[MSDSonline] Documented occupational contact dermatitis in a cigarette manufacturing worker[Kanerva, p. 1851] |
| FDA 요건 | An ingredient whose use in food or food packaging is subject to a prior sanction or approval within the meaning of section 201(s)(4) of the Act is exempt from classification as a food additive. ... Substances classified as plasticizers, when migrating from food-packaging material shall include ... triacetin.Substance added directly to human food affirmed as generally recognized as safe (GRAS).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: triacetin is included in topical antifungal drug products. |
용도
용도
Triacetin 가장 중요 한 최종 사용이, 차례 차례로, 항목으로 그 효과 불포화 폴리에스터 수 지의 생산에 우리의 일상 생활, 물 탱크, 또는 범선 처럼 우리의 여가 시간입니다. Triacetin는 또한 가소제, 표면 활성 제, 유화 제 및 demulsifying 에이전트, 형 억제 물, 과일, 얼음 제와 수 분 유지 담배에 대 한 에이전트에 대 한 살 균으로 사용할 수 있습니다.
개요
§ 184.1901(a) Triacetin (C8H14O6), also known as 1,2,3-propanetriol triacetate or glyceryl triacetate, is the triester of glycerin and acetic acid. Triacetin can be prepared by heating glycerin with acetic anhydride alone or in the presence of finely divided potassium hydrogen sulfate. It can also be prepared by the reaction of oxygen with a liquid-phase mixture of allyl acetate and acetic acid using a bromide salt as a catalyst.
출처
Reported found in papaya.
용도
As fixative in perfumery; solvent in manufacture of celluloid, photographic films. Technical triacetin (a mixture of mono-, di-, and small quantities of triacetin) as a solvent for basic dyes, particularly indulines, and tannin in dyeing.
일반 설명
Triacetin is a triester of glycerin and acetic acid that occurs naturally in papaya. It is mainly used as a synthetic flavoring agent in ice-creams, nonalcoholic beverages and baked goods.
제조 및 합성 방법
제조 방법
By direct reaction of glycerol with acetic acid in the presence of Twitchell’s reagent, or in benzene solution of glycerol and boiling acetic acid in the presence of a cationic resin (Zeo-Karb H) pretreated with dilute H2SO4.
생산 방법
Triacetin is prepared by the esterification of glycerin with acetic anhydride.