γ-운데카락톤
γ-운데카락톤 · 알데히드C14 · 감마-운데카락톤 · γ-Undecalactone · GAMMA-UNDECALACTONE · ALDEHYDE C-14 · PEACH ALDEHYDE · δ-Undecalactone
식별자 및 물리적 특성
| CAS No. | 104-67-6 |
|---|---|
| 분자식 | C11H20O2 |
| 평균 분자량 | 184.27 g/mol |
| 단동위원소 질량 | 184.14632988 g/mol |
| SMILES | CCCCCCCC1CCC(=O)O1 |
| InChIKey | PHXATPHONSXBIL-UHFFFAOYSA-N |
| PubChem CID | 7714 |
| ChEMBL | CHEMBL195827 |
| ChEBI | CHEBI:89362 |
| EC No. | 203-225-4 |
| DTXSID | DTXSID4034287 |
| 현지명 | γ-운데카락톤 |
화학 및 물리적 성질
| XLogP | 3.3 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 154 |
| 물질 분류 | Other Classes -> Lactones |
| 지질 | Fatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704] |
| 화장품 | MaskingSolvent |
| 향료 | Fragrance Ingredient (gamma-Undecalactone) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.942-0.9450.949 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | soluble in alcohol, most fixed oils and propylene glycolinsoluble in glycerol and in water1 ml in 5 ml 60% alcohol (in ethanol)Insoluble in water |
| 끓는 점 | 297 °C164-166 °C/13 mmHg (lit.) |
| 굴절률 | 1.448-1.453n20/D 1.451 |
| Physical Description | Dry PowderLiquidCBIOther SolidColorless to yellow liquid with a strong fruity odor like peaches[Reference #1]colourless to slightly yellow liquid with a fruity, peach-like odour |
| 녹는점 | 164~166℃ |
| 증기압 | 0.274Pa at 25℃ |
| FEMA | 3091 | GAMMA-UNDECALACTONE |
| 인화점 | >230 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 액체 |
| 비중 | 0.944 (20/4℃) |
| 색상 | 무색의 |
| 냄새 | 100.00%에서. 과일향 복숭아 크리미 지방 락톤 살구 케톤 코코넛 |
| 향취 유형 | 과일 같은 |
| 생물학적 소스 | synthetic |
| 용해도 | 158mg/L at 20℃ |
| JECFA Number | 233 |
| BRN | 81943 |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 향수피부 컨디셔닝 - 기타향기 |
| InChI | 1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h10H,2-9H2,1H3 |
| InChIKey | PHXATPHONSXBIL-UHFFFAOYSA-N |
| SMILES | CCCCCCCC1CCC(=O)O1 |
| LogP(분배 계수) | 3.6 at 25℃ |
| NIST | 2(3H)-Furanone, 5-heptyldihydro-(104-67-6) |
| EPA | 5-Heptyldihydro-2(3H)-furanone (104-67-6) |
화학적 성질
GAMMA-UNDECALACTONE is clear colourless liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 69.7% (1536 of 2205) of all reports.H411 (10.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2205 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard] |
|---|---|
| 규제 정보 | Chemical: 2(3H)-Furanone, 5-heptyldihydro-Regulation (EC) No 1831/2003 (amended)2(3H)-Furanone, 5-heptyldihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2(3H)-Furanone, 5-heptyldihydro- 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: 12-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/142151,4-Undecanolide: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | A moderate to severe skin irritantCauses somnolence in oral lethal-dose studies of rats[RTECS] No significant adverse effects observed in a 90-day or 2-year feeding studies of ratsFormulations contain 0.049% of this active ingredient and are of low acute toxicityLimited supplementary studies from open literature for the pure substance also demonstrate low acute oral toxicity and at 2% in petroleum no irritation or sensitization to human skin[Reference #1] Safe when used as a flavoring agent in food[JECFA] A skin and strong eye irritant[Alfa Aesar MSDS] See Butyrolactone and gamma-Nonalactone. |
| Hazard Classes and Categories | Aquatic Chronic 2 (10.3%)Hazardous to the aquatic environment (Acute) - Category 2 |
| 유해 작용 | Neurotoxin - Acute solvent syndrome |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
용도
출처
Reported found in hydrolyzed soy protein, butter, peach, apricot and passion fruit. Also reported found in fresh apple, guava fruit, fresh blackberry, heated butter, heated beef fat, ghee, pork fat, yellow passion fruit juice, cooked scented rice, origanum (Spanish) (Coridothymus cap. (L.) Rchb.), mountain papaya, starfruit, plumcot and chicken fat.
용도
Traditionally, the bark and leaves of the peach tree have been used as an anthelmintic, an expectorant, an astringent, and a diuretic, as well as to treat insomnia, cough, and constipation. In the 1970s, peach pits (Laetrile) were a popular but unproved treatment for cancer in other countries. Topically, peach is used to treat minor skin disorders such as burns, abrasions, blisters, scratches, eczema, psoriasis, and warts.
일반 설명
γ-Undecalactone is a volatile flavor constituent found in low-fat ice cream.
제조 및 합성 방법
제조 방법
By the action of sulfuric acid on undecylenic acid; also prepared starting form castor oil; from octanol-1 plus methylacrylate with di-ter-butylperoxide; from heptylethylene oxide and sodiomalonic ester.