스테아릴 알코올
1-히드록시옥타데칸 · N-옥타데실알코올 · N-옥타데칸올 · 옥타데실알코올 · 옥타데칸올 · 1-옥타데칸올 · 스테아릴알코올 · 스테아릴알콜
식별자 및 물리적 특성
| CAS No. | 112-92-5 |
|---|---|
| 분자식 | C18H38O |
| 평균 분자량 | 270.5 g/mol |
| 단동위원소 질량 | 270.29226583 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCO |
| InChIKey | GLDOVTGHNKAZLK-UHFFFAOYSA-N |
| PubChem CID | 8221 |
| ChEBI | CHEBI:32154 |
| EC No. | 204-017-6 |
| DTXSID | DTXSID8026935 |
| 현지명 | 스테아릴 알코올 |
화학 및 물리적 성질
| XLogP | 8.4 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 16 |
| 무거운 원자 수 | 19 |
| 형식 전하 | 0 |
| 복잡도 | 145 |
| LogP(분배 계수) | 8.22 |
| 냄새 | Faintwh. unctuous flakes or gran., faint odor, bland taste |
| 맛 | Bland |
| 밀도 | 0.8124 at 59 °C/4 °CRelative density (water = 1): 0.81 (liquid)0.8124 @ 59°C0.812 g/mL at 25 °C (lit.) |
| Color/Form | Leaflets from ethanolUnctuous white flakes or granules |
| 용해도 | Soluble in alcohol, ether, benzene, acetoneSoluble in chloroformslightly soluble in acetone, benzeneIn water, 1.1X10-3 mg/L at 25 °C1.1e-06 mg/mL at 25 °CSolubility in water: none메탄올: 용해성10mg/mL, 투명, 무색 |
| 인화점 | 200 °C392 °F (200 °C) (Closed cup)170 °C185°C |
| 끓는 점 | 210.5 °C at 15 mm Hg336 °C202 °C @760 [mm Hg]210 °C15 mm Hg |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| 녹는점 | 59.5 °CHeat of fusion at melting point = 7.4057X10+7 J/kmol (for the gamma phase, no selection of the alpha phase, crystal I can be made).59.8 °C58 °C56-59 °C (lit.) |
| 증기압 | 0.0000027 [mmHg]Vapor pressure = 0.1 mm Hg @ 125 °CVapor pressure, Pa at 150 °C: 1330.0000026 [mm Hg] @25 °C<0.01 mm Hg ( 38 °C) |
| Physical Description | Large CrystalsLiquidOther SolidDry PowderWhite solid[Hawley]COLOURLESS-TO-WHITE SLIGHTLY WAXY FLAKES OR LEAFLETS. |
| 증기 밀도 | 9.3 (vs air) |
| 굴절률 | 1.4356 (estimate) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 플레이크 |
| pKa(산도 계수) | 15.20±0.10(Predicted) |
| 비중 | 0.812 |
| 색상 | 하얀색 |
| 폭발한계 | ~8% |
| 용해도 | 불용성 |
| Merck | 14,8805 |
| BRN | 1362907 |
| 헨리 상수 | 1.2×10-2 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 유전율 | 3.4(58℃) |
| 화장품 원료 기능 | 계면활성제 - 세정계면활성제 - 유화제향기불투명화지방 보충제유화 안정화피부 컨디셔닝 - 보습제점도 조절계면활성제 - 거품 증진제 |
| InChI | 1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3 |
| InChIKey | GLDOVTGHNKAZLK-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCCCO |
| LogP(분배 계수) | 7.4 |
| NIST | 1-Octadecanol(112-92-5) |
| EPA | 1-Octadecanol (112-92-5) |
화학적 성질
Stearyl alcohol, or 1-octadecanol, is an organic compound classified as a saturated fatty alcohol with the formula CH3(CH2)16CH2OH. It occurs as hard, white, waxy pieces, flakes, or granules, which have a slight characteristic odor and a bland taste. It is soluble in alcohol, acetone, and ether, but insoluble in water. Furthermore, it is combustible.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 61.7% (1186 of 1921) of all reports.WarningH319 (23.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H400 (15%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H411 (15.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]H412 (15%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1921 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1186 of 1921 reports by companies.There are 10 notifications provided by 735 of 1921 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: 1-OctadecanolCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)1-Octadecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octadecanol 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: 06-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15937Status: Active Update: 30-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/62451-Octadecanol: Does not have an individual approval but may be used under an appropriate group standardOctadecanol: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 1-Octadecanol: Human health tier I assessment |
| 화재 위험 |
용도
용도
1-Octadecanol is used as a surfactant in cosmetics. It effectively moisturizes hands and face with pheohydrane, which is a complex derived from the microalgae Chlorella Vulgaris and hydrolyzed algin found in sea water. It is a saturated alcohol of high purity and can substitute for cetyl alcohol in pharmaceutical dispensing, in cosmetic creams, for emulsions, textile oils and finishes, as antifoam agent, lubricant, viscosity agent, builder, and chemical raw material.
일반 설명
Mixed monolayers of 1-octadecanol and ethylene glycol monooctadecyl ether were studied to investigate their evaporation suppressing performance. The rate dependence of the collapse pressure for an octadecanolmonolayer using axisymmetric drop shape analysis has been investigated.
제조 및 합성 방법
제조 방법
1-Octadecanol is prepared commercially via Ziegler aluminum alkyl hydrolysis or the catalytic, high-pressure hydrogenation of stearyl acid, followed by filtration and distillation. It may also be derived from natural fats and oils.
생산 방법
Historically, stearyl alcohol was prepared from sperm whale oil but is now largely prepared synthetically by reduction of ethyl stearate with lithium aluminum hydride.