데실 알코올
1-데카놀 · 데실알코올 · 1-데칸올 · 1차 데킬 알코올 · C-10 알코올 · EPAL 10 · n-데실 알코올 · N-데카틸 알코올
식별자 및 물리적 특성
| CAS No. | 112-30-1 |
|---|---|
| 분자식 | C10H22O |
| 평균 분자량 | 158.28 g/mol |
| 단동위원소 질량 | 158.16706532 g/mol |
| SMILES | CCCCCCCCCCO |
| InChIKey | MWKFXSUHUHTGQN-UHFFFAOYSA-N |
| PubChem CID | 8174 |
| ChEMBL | CHEMBL25363 |
| ChEBI | CHEBI:28903 |
| EC No. | 203-956-9 |
| DTXSID | DTXSID7021946 |
| 현지명 | 데실 알코올 |
화학 및 물리적 성질
| XLogP | 4.6 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 61.9 |
| 지질 | Fatty Acyls [FA] -> Fatty alcohols [FA05] |
| Solvents | Solvents -> Alcohols (<C12) |
| 화장품 | EmollientViscosity controlling |
| SpringerMaterials Properties | Boiling point |
| 향료 | Fragrance Ingredient (1-Decanol) -> IFRA transparency List |
| 농약 | Plant Growth RegulatorsActive substance -> EU Pesticides database: ApprovedEnvironmental transformation -> Pesticide transformation products (metabolite, successor) |
| LogP(분배 계수) | log Kow= 4.574.23 (calculated) |
| 냄새 | Sweet odorFloral, fruity odorRESEMBLE ORANGE FLOWERS희미한 알코올 냄새가 난다 |
| 맛 | SLIGHT, CHARACTERISTIC FATTY TASTE |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.84 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8297 g/cu cm at 20 °C0.83 g/cm³Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.010.826-0.8310.83 @ 20°C0.829 g/mL at 25 °C (lit.) |
| 향미제 | EU Flavoring substances |
| 녹는점 | 5-7 °C (lit.) |
| 끓는 점 | 231 °C (lit.) |
| 증기 밀도 | 4.5 (vs air) |
| 증기압 | 1 mm Hg ( 70 °C) |
| 굴절률 | n20/D 1.437(lit.) |
| FEMA | 2365 | 1-DECANOL |
| 인화점 | 180 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 에탄올: 용해성60%, 투명, 무색(1mL/3mL) |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 15.21±0.10(Predicted) |
| 색상 | 무색투명~미황색 |
| 향취 유형 | 지방이 많은 |
| 후각 역치 | 0.00077ppm |
| 생물학적 소스 | synthetic |
| 폭발한계 | 0.9-5.7%(V) |
| 용해도 | 불용성 |
| 비열 | Cp(liquid): 2.34 J/(g·K), at 25℃ |
| JECFA Number | 103 |
| Merck | 14,2855 |
| BRN | 1735221 |
| 헨리 상수 | 2.0×10-1 mol/(m3Pa) at 25℃, Brockbank (2013) |
| 유전율 | 8.1(20℃) |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 피부 컨디셔닝 - 보습제향기계면활성제 - 거품 증진제계면활성제 - 세정점도 조절 |
| InChI | 1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3 |
| InChIKey | MWKFXSUHUHTGQN-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCO |
| LogP(분배 계수) | 4.5 at 20℃ |
| 표면장력 | 28.5mN/m at 20°C |
| NIST | 1-Decanol(112-30-1) |
| EPA | 1-Decanol (112-30-1) |
화학적 성질
1-Decanol is a clear colorless to slightly yellow liquid and has a floral odor resembling orange flowers and a slight, characteristic fatty taste. The threshold odor concentration in air for decyl alcohol (isomer not specified) was reportedly 6.3 ppb. soluble in glacial acetic acid, ethanol, benzene, petroleum ether, easily soluble in ether.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 1.3% (47 of 3504) of reports.WarningH315 (51.7%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3504 reports by companies from 27 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 95.1% (485 of 510) of all reports. |
|---|---|
| 규제 정보 | Chemical: 1-DecanolChemical: Alcohols, C8-10Commission Regulation (EC) No 2229/20041-Decanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Decanol 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)2011/33/EU, Re. (EU) No 2018/1266, Reg. (EU) 2020/2007, Reg. (EU) 2024/1206, Reg. (EU) No 540/2011Status: Active Update: 23-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15951 |
| 운송 라벨(DOT) | Flammable Liquid |
| 화재 위험 | Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:Combustible. |
| 화재 가능성 | Combustible when exposed to heat or flame... |
| 건강 유해성 | Direct contact can produce eye irritationlow general toxicity. (USCG, 1999) |
| 유해성 요약 | An eye irritantLiquid defats skinMay cause CNS depression at high concentrations[ICSC] In lethal dose studies of rats, causes somnolence after ingestion and ataxia after inhalation[RTECS] Low order of toxicityLD50 values usually exceed highest dose tested and range from >2000 to >10,000 mg/kgCNS depression reported after repeated bolus dose of 1-hexanol and 1-octanol but not for members of this group with higher chain lengthNo reproductive effects[ToxPlanet: SIDS: Long Chain Alcohols (C6-22 primary aliphatic alcohols)] Inhalation of high concentrations can induce unconsciousness |
용도
출처
Reported in the essential oils of ambrette seeds and almond flowers; also in citrus oils, fermented beverages, apple juice, bilberry, American cranberry, papaya, raspberry, cheeses, milk, butter, beef, pork, beer, cognac, whiskey, red, white and sparkling wines, coriander seeds and cardamom.
용도
1-Decanol is a long chain alcohol that has been seen to enhance homomeric glycine receptor function. In addition, the 5HT2α receptors were inhibited by the presence of 1-decanol. This action has many psychological repercussions on an individual. 1-Decanol is also used in the manufacture of plasticizers, synthetic lubricants, petroleum additives, herbicides, surface active agents, solvents. Has moderate antifoaming capacity.
일반 설명
A clear colorless liquid with a sweet fat-like odor. Flash point 180°F. Less dense than water and insoluble in water. Vapors are heavier than air.
제조 및 합성 방법
생산 방법
1-Decanol is prepared commercially by sodium reduction or by the high-pressure catalytic reduction of coconut oil, coconut fatty acids, or esters . It is also produced by the Ziegler process, which involves oxidation of trialkylaluminum compounds.
제조 방법
By sodium reduction or high-pressure catalytic hydrogenation of the esters of naturally occurring capric acid, or by oligomerization of ethylene using aluminium alkyl technology.