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미리스틱 알코올 (N-테트라데칸올)
미리스틱알코올(N-테트라데칸올) · 미리스틱알코올 · 미리스틸알코올 · 1-테트라데카놀 · MYRISTYL ALCOHOL · myristic · Tetradecan-1-ol · TETRADECYL ALCOHOL
식별자 및 물리적 특성
| CAS No. | 112-72-1 |
|---|---|
| 분자식 | C14H30O |
| 평균 분자량 | 214.39 g/mol |
| 단동위원소 질량 | 214.22966558 g/mol |
| SMILES | CCCCCCCCCCCCCCO |
| InChIKey | HLZKNKRTKFSKGZ-UHFFFAOYSA-N |
| PubChem CID | 8209 |
| ChEMBL | CHEMBL24022 |
| ChEBI | CHEBI:77417 |
| EC No. | 204-000-3 |
| DTXSID | DTXSID9026926 |
| 현지명 | 미리스틱 알코올 (N-테트라데칸올) |
화학 및 물리적 성질
| XLogP | 6.2 |
|---|---|
| 극성 표면적 | 20.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 12 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 102 |
| 물질 분류 | Other Classes -> Other Organic Compounds |
| 지질 | Fatty Acyls [FA] -> Fatty alcohols [FA05] |
| 화장품 | Cosmetic ingredients (Myristyl Alcohol) -> CIR (Cosmetic Ingredient Review)Viscosity controllingEmulsion stabilizingSkin conditioningEmollientFoam boosting |
| SpringerMaterials Properties | Boiling point |
| 향료 | Fragrance Ingredient (1-Tetradecanol) -> IFRA transparency List |
| 농약 | AttractantsActive substance -> EU Pesticides database: Approved |
| LogP(분배 계수) | log Kow = 6.036.11 |
| 식품 첨가물 | FORMULATION AID, LUBRICANT OR RELEASE AGENT -> FDA Substance added to food |
| 밀도 | 0.824 at 100.4 °F (USCG, 1999) - Less dense than waterwill float0.823 at 40 °CBulk density = 7.0 lb/galspecific gravity: 0.8355 at 20 °C/20 °CDensity: 0.8236 g/cu cm at 38 °C0.823 g/mL at 25 °C(lit.) |
| 향미제 | EU Flavoring substances |
| Color/Form | White solidWhite crystalsLeaflets |
| 용해도 | In water, 1.91X10-1 mg/L at 25 °CIn water, 0.30 mg/L at 25 °CVery soluble in ethanol, ether, acetone, benzene, chloroformSoluble in ether, slightly soluble in alcohol물: 23°C에서 용해성0.00013g/L |
| 녹는점 | 35-39 °C(lit.) |
| 끓는 점 | 289 °C(lit.) |
| 증기 밀도 | 7.4 (vs air) |
| 증기압 | <1 hPa (20 °C) |
| 굴절률 | 1.4454 |
| 인화점 | >230 °F |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 저융점 고체, 결정성 분말, 결정체, 플레이크, 펠릿 및/또는 덩어리 |
| pKa(산도 계수) | 15.20±0.10(Predicted) |
| 비중 | 0.823 |
| 색상 | 하얀색 |
| 냄새 | 지방이 많은 |
| 향취 유형 | 밀랍같은 |
| 용해도 | 불용성 |
| 비열 | Cp(crystal): 1.81 J/(g·K), at 25℃ |
| Merck | 14,6335 |
| BRN | 1742652 |
| 헨리 상수 | 6.2×10-2 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 유전율 | 4.4(48℃) |
| 화장품 원료 기능 | 계면활성제 - 거품 증진제유화 안정화점도 조절피부 컨디셔닝 - 보습제피부 컨디셔닝 |
| InChI | 1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3 |
| InChIKey | HLZKNKRTKFSKGZ-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCO |
| LogP(분배 계수) | 5.5 |
| NIST | 1-Tetradecanol(112-72-1) |
| EPA | 1-Tetradecanol (112-72-1) |
화학적 성질
white low melting solid or flakes
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 15% (312 of 2077) of reports.WarningH315 (33.1%): 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 2077 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 1-TetradecanolCommission Regulation (EC) No 2229/20041-Tetradecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Tetradecanol 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)2008/127, Reg. (EU) 2017/195, Reg. (EU) 2021/745, Reg. (EU) 2022/1251, Reg. (EU) No 540/2011, Reg. (EU) No 918/2014, Reg. (EU)2020/1160Status: Active Update: 22-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/154221-Tetradecanol: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 1-Tetradecanol: Human health tier I assessment |
| 화재 가능성 | Combustible when exposed to heat or flame... |
| 건강 유해성 | Low toxicity. Overexposure causes some central nervous system depression. Prolonged skin contact causes skin irritation. (USCG, 1999) |
| 유해성 요약 | Low toxicity, but overexposure can cause CNS depression and prolonged skin contact causes irritation[CAMEO] A moderate skin irritantA mild eye irritant[MSDSonline] |
| FDA 요건 | Myristyl alcohol is an indirect food additive for use only as a component of adhesives. |
| 반응성 그룹 | Alcohols and Polyols |
| FIFRA 요건 | New Active Ingredients ... includes pesticide active ingredients initially registered after November 1, 1984, that currently have active product registrations. By law, these newer pesticides are not subject to the reregistration program. They must, however, meet the new safety standard of the FQPA, and will be reviewed on a 15-year cycle under the registration review program. ... Active Ingredient Number: 001510 |
용도
용도
화장품의피부연화제,계면활성제.
용도
1-Tetradecanol is used as an ingredient in cosmetics such as cold creams. It is an active intermediate in the chemical synthesis of sulfated alcohol. It is also employed in the fabrication of temperature-regulated drug release system based on phase-change materials. It plays a vital role in filling the hollow interiors of gold nanocages in the fabrication of new theranostic system, which has unique feature of photoacoustic imaging.
일반 설명
Colorless thick liquid (heated) with a faint alcohol odor. Solidifies and floats on water.
제조 및 합성 방법
제조 방법
1-Tetradecanol is prepared from the head oil of the Sperm Whale via the acid and the ester.
생산 방법
Myristyl alcohol is found in spermaceti wax and sperm oil, and may be synthesized by sodium reduction of fatty acid esters or the reduction of fatty acids by lithium aluminum hydride. It can also be formed from acetaldehyde and dimethylamine.