Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
라우릴산이소아밀에스테르
라우릴산이소아밀에스테르 · 아이소아밀라우레이트 · 아이소펜틸 라우레이트 · FEMA 2077 · 3-Methylbutyl dodecanoate · ISOPENTYL LAURATE · SOAMYL LAURATE · ISOAMYL LAURATE
식별자 및 물리적 특성
| CAS No. | 6309-51-9 |
|---|---|
| 분자식 | C17H34O2 |
| 평균 분자량 | 270.5 g/mol |
| 단동위원소 질량 | 270.25588032 g/mol |
| SMILES | CCCCCCCCCCCC(=O)OCCC(C)C |
| InChIKey | FVKRIDSRWFEQME-UHFFFAOYSA-N |
| PubChem CID | 61386 |
| ChEBI | CHEBI:87343 |
| EC No. | 228-626-1 |
| DTXSID | DTXSID3064221 |
| 현지명 | 라우릴산이소아밀에스테르 |
화학 및 물리적 성질
| XLogP | 7 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 14 |
| 무거운 원자 수 | 19 |
| 형식 전하 | 0 |
| 복잡도 | 199 |
| 지질 | Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701] |
| 화장품 | Cosmetic ingredients (Isoamyl Laurate) -> CIR (Cosmetic Ingredient Review)Skin conditioningEmollient |
| 향료 | Fragrance Ingredient (Isoamyl laurate) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.853-0.8590.856 g/mL at 25 °C(lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | soluble in alcoholinsoluble in water(in ethanol) |
| 끓는 점 | 311.00 to 312.00 °C. @ 760.00 mm Hg190 °C (20 mmHg)170 °C / 2mmHg |
| 굴절률 | 1.434-1.439n20/D 1.436(lit.) |
| Physical Description | Liquidcolourless, oily liquid with a faint oily, fatty odour |
| 증기압 | 0.005Pa at 20℃ |
| FEMA | 2077 | ISOAMYL LAURATE |
| 인화점 | >230 °F |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| 냄새 | 100.00%에서. 와인 밀랍 기름진 지방 복숭아 |
| 향취 유형 | 밀랍같은 |
| 생물학적 소스 | synthetic |
| JECFA Number | 182 |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 피부 컨디셔닝 - 보습제피부 컨디셔닝 |
| InChI | InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3 |
| InChIKey | FVKRIDSRWFEQME-UHFFFAOYSA-N |
| SMILES | C(OCCC(C)C)(=O)CCCCCCCCCCC |
| LogP(분배 계수) | 7.43 |
| EPA | Dodecanoic acid, 3-methylbutyl ester (6309-51-9) |
화학적 성질
Insoluble in water, soluble in alcohol and perfume and flavor materials.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 100% (18 of 18) of all reports.Not ClassifiedAggregated GHS information provided per 18 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Dodecanoic acid, 3-methylbutyl esterRegulation (EC) No 1831/2003 (amended)Dodecanoic acid, 3-methylbutyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecanoic acid, 3-methylbutyl ester 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: Isopentyl laurate (EC: 228-626-1)Dodecanoic acid, 3-methylbutyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| EPA Safer Chemical | Chemical: Isoamyl laurate |
| Hazard Classes and Categories | Not Classified |
| 독성 요약 | The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.Safe for use in cosmetics, with qualifications |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2915.90.5050 |
| 기존화학 물질 | KE-12875 |
| 저장 분류 | 10 - Combustible liquids |
용도
개요
Isoamyl laurate has a very faint, oily, fatty odor and a fatty flavor.
출처
Reported found at the 3% level in fusel oil from raisins, in grapes, beer, cognac, brandy, rum, malt whiskey, port and sparkling wine, plum wine, babaco fruit (Carica pentagona Heilborn) and sea buckthorn (Hippophae rhamnoides L.)