에이코사노 산
에이코사노산 · 아라키딕애씨드 · 아라크산 · 아라키딘산 · 1-에이코산산 · EICOSANOIC ACID · ARACHIC ACID · C20
식별자 및 물리적 특성
| CAS No. | 506-30-9 |
|---|---|
| 분자식 | C20H40O2 |
| 평균 분자량 | 312.5 g/mol |
| 단동위원소 질량 | 312.30283051 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCCC(=O)O |
| InChIKey | VKOBVWXKNCXXDE-UHFFFAOYSA-N |
| PubChem CID | 10467 |
| ChEMBL | CHEMBL1173381 |
| ChEBI | CHEBI:28822 |
| EC No. | 208-031-3 |
| DTXSID | DTXSID1060134 |
| 현지명 | 에이코사노 산 |
화학 및 물리적 성질
| XLogP | 8.5 |
|---|---|
| 극성 표면적 | 37.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 18 |
| 무거운 원자 수 | 22 |
| 형식 전하 | 0 |
| 복잡도 | 226 |
| LogP(분배 계수) | 9.29 |
| 끓는 점 | 328.00 °C. @ 760.00 mm Hg328 °C |
| 녹는점 | 75.4 °C74-76 °C(lit.) |
| Physical Description | LiquidOther Solid[Merck Index] White crystalline flakes[Alfa Aesar MSDS] |
| Ionization Efficiency | Positive1.252.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Kovats Retention Index | 2380236623592365.3377.8 |
| Collision Cross Section | 184.8 Ų [M-H]- [CCS Type: DTBuffer gas: N2Sample Type: Human bronchoalveolar lavage fluid (BALF)Dataset: Unambiguous Lipids]183.41 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]186.36 Ų [M-H]- [CCS Type: DTMethod: stepped-field]199.97 Ų [M+Na]+ [CCS Type: DT186.17 Ų [M-H]- [CCS Type: DT185.1 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]185.9 Ų [M-H]-185 Ų [M-H]- |
| 밀도 | d4100 0.8240 |
| 증기압 | 0Pa at 25℃ |
| 굴절률 | nD100 1.4250 |
| 인화점 | 110 °C |
| 저장 조건 | -20°C |
| 용해도 | 클로로포름: 50mg/mL, 투명, 무색 |
| pKa(산도 계수) | 4.78±0.10(Predicted) |
| 물리적 상태 | 반짝이는 가루 또는 조각 |
| 색상 | 하얀색 |
| 용해도 | 실질적으로 불용성 |
| 비열 | Cp(crystal): 1.74 J/(g·K), at 25℃ |
| Merck | 14,764 |
| BRN | 1788211 |
| 헨리 상수 | 1.7×10-1 mol/(m3Pa) at 25℃, Abraham (2003) |
| 화장품 원료 기능 | 계면활성제 - 유화제계면활성제 - 세정세척제불투명화 |
| InChI | 1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22) |
| InChIKey | VKOBVWXKNCXXDE-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCCCCC(O)=O |
| LogP(분배 계수) | 1.571 at 33℃ |
| NIST | Eicosanoic acid(506-30-9) |
| EPA | Eicosanoic acid (506-30-9) |
화학적 성질
Arachidic acid is also known as eicosanoic acid or Icosanoic acid, formula CH3(CH2)18COOH. A widely distributed, but minor, component of the fats of certain edible vegetable oils. Shining, white crystalline leaflets; soluble in ether, slightly soluble in water. Decomposes at 328 C. Commercial product derived from groundnut (peanut) oil. Used in organic synthesis, lubricating greases, waxes, and plastics. Source of arachidyl alcohol.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 10.2% (29 of 285) of reports.WarningH315 (89.8%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (89.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (53%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 285 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 29 of 285 reports by companies.There are 5 notifications provided by 256 of 285 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: Eicosanoic acidEicosanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Eicosanoic acid 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: Cease Manufacture Update: 04-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11014Eicosanoic acid: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Eicosanoic acid: Environment tier I assessmentIMAP assessments - Eicosanoic acid: Human health tier I assessment |
| 유해성 요약 | n-Alkyl carboxylic acids: Category members demonstrate low acute oral, dermal, and inhalation toxicityLow potential to cause skin sensitizationLow repeated-dose toxicityLow or no reproductive or developmental toxicity |
용도
출처
Arachidic acid is a saturated long-chain fatty acid and a minor constituent of peanut oil, coconut oil and corn oil.
용도
Arachidic acid is used in the manufacture of pharmaceuticals, soaps, cosmetics, and food packaging because of its surfactant-like properties. Arachidic acid was also used for the dispersion of the monolayer. By addition of an appropriate amount of arachidic acid to a solution of [Eu(tta)3(phen)] in chloroform, stable monolayers consisting of [Eu(tta)3(phen)] and arachidic acid were obtained, and the [Eu(tta)3(phen)] were found to be dispersed homogeneously in the monolayer.
제조 및 합성 방법
제조 방법
Eicosanoic acid is produced by catalytic hydrogenation of arachidonic acid. Arachidonic acid is obtained from food or by desaturation and chain elongation of the plant-rich essential fatty acid, linoleic acid.