테르피닐프로피오네이트
테르피닐프로피오네이트 · FEMA 3053 · 3-Cyclohexene-1-methanol,.alpha.,.alpha.,4-trimethyl-,propanoate · Terpenyl propionate · TERPINYL PROPIONATE · Terpineol propionate · Terpinyl n-propionate · a-Terpinyl propionate
식별자 및 물리적 특성
| CAS No. | 62395-45-3 |
|---|---|
| 분자식 | C13H22O2 |
| 평균 분자량 | 210.31 g/mol |
| 단동위원소 질량 | 210.16197994 g/mol |
| SMILES | CCC(=O)OC(C)(C)C1CC=C(C)CC1 |
| InChIKey | CMKQOKAXUWQAHG-UHFFFAOYSA-N |
| PubChem CID | 62328 |
| ChEMBL | CHEMBL3188389 |
| ChEBI | CHEBI:174065 |
| EC No. | 201-266-2 |
| DTXSID | DTXSID3044833 |
| 현지명 | 테르피닐프로피오네이트 |
화학 및 물리적 성질
| XLogP | 2.9 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 264 |
| 향료 | Fragrance Ingredient (Terpinyl propionate) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.947-0.9520.949 g/mL at 25 °C(lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | soluble in glycerolslightly soluble in propylene glycolinsoluble in watermiscible with alcohol, chloroform, ether, most fixed oils1 ml in 2 ml 80% alcohol (in ethanol)Practically insoluble in water, soluble in alcohol and oils |
| 끓는 점 | 274.00 to 275.00 °C. @ 760.00 mm Hg240 °C240 °C(lit.) |
| 굴절률 | 1.462-1.468n20/D 1.464(lit.) |
| Physical Description | colourless to slightly yellow liquid with a sweet, floral, herbaceous, lavender-like odour |
| FEMA | 3053 | TERPINYL PROPIONATE |
| 인화점 | 71 °C |
| 물리적 상태 | oily liquid |
| 비중 | 0.95 |
| 색상 | Colorless |
| 냄새 | 100.00%에서. 풀의 녹색 오래된 나무 감귤류 제라늄 열대의 |
| 향취 유형 | 녹색 |
| JECFA Number | 369 |
| 화장품 원료 기능 | 향수 |
| LogP(분배 계수) | 4.20 |
| EPA | 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate (80-27-3) |
화학적 성질
Terpinyl propionate has a somewhat floral, lavender note with a bitter flavor
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 98.9% (92 of 93) of all reports.Not ClassifiedAggregated GHS information provided per 93 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoateChemical: Terpineol, propanoate3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in AustraliaIMAP assessments - 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, propanoate: Environment tier I assessment |
| Hazard Classes and Categories | Not Classified |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| 독성 | Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973). |
용도
출처
Reported found in citrus fruit and celery; also the racemic form (dl) has been identified in cardamom.
용도
Alpha-Terpineol propanoate has acquired fame as a modifier for Lavender and Bergamot but it is really no match for Linalyl acetate or Ethyl Iinalyl acetate except that the Terpinyl propionate is very stable in alkaline media. It is therefore often used in soap, where its low cost is also appreciated. It finds a little use in fruit complex flavor compositions, mainly in Citrus fruits, Lime, Spice (Cardamom) etc. The concentration will be about 1 to 10 ppm in the finished product.
제조 및 합성 방법
제조 방법
By esterification of terpineols.