Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
도코사노 산
도코사노산 · 베헤닉애씨드 · 1-도코사노 산 · n- 도코사노 산 · 도코사노 산 · 도코소 산 · 베헨 산 · BEHENIC ACID
식별자 및 물리적 특성
| CAS No. | 112-85-6 |
|---|---|
| 분자식 | C22H44O2 |
| 평균 분자량 | 340.6 g/mol |
| 단동위원소 질량 | 340.33413065 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)O |
| InChIKey | UKMSUNONTOPOIO-UHFFFAOYSA-N |
| PubChem CID | 8215 |
| ChEMBL | CHEMBL1173474 |
| ChEBI | CHEBI:28941 |
| EC No. | 204-010-8 |
| DTXSID | DTXSID3026930 |
| 현지명 | 도코사노 산 |
화학 및 물리적 성질
| XLogP | 9.6 |
|---|---|
| 극성 표면적 | 37.3 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 20 |
| 무거운 원자 수 | 24 |
| 형식 전하 | 0 |
| 복잡도 | 250 |
| 물질 분류 | Other Classes -> Organic Acids |
| 지질 | Lipids -> Unambiguous LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101] |
| 화장품 | Cosmetic ingredients (Behenic Acid) -> CIR (Cosmetic Ingredient Review)Emulsifying |
| LogP(분배 계수) | 9.910 |
| 밀도 | 0.8221 at 100 °C/4 °Cd4100 0.8221 |
| Color/Form | Waxy solidNeedles |
| 용해도 | 0.102 g are sol in 100 g of 90% ethanol at 17 °C0.218 g are sol in 100 ml of 91.5% ethanol at 25 °C0.116 g are sol in 100 ml of 86.2% ethanol at 25 °C0.011 g are sol in 100 ml of 63.07% ethanol at 25 °C0.1922 g are sol in 100 g of ether at 16 °CSlightly soluble in water, ethanol, ethyl etherIn water, 160 mg/L, temp not specified1.6e-05 mg/mL클로로포름: 용해성50mg/mL, 투명 |
| 끓는 점 | 306 °C at 60 mm Hg306°C 60mm |
| 녹는점 | 79.95 °C81 °C72-80 °C(lit.) |
| 증기압 | 0.00000007 [mmHg]0Pa at 25℃ |
| 굴절률 | Index of refraction: 1.4270 at 100 °C/DnD100 1.4270 |
| Physical Description | Other SolidLarge CrystalsLiquidWhite to cream or yellow solid[CHEMINFO] White crystalline powder[MSDSonline] |
| 인화점 | 306°C/60mm |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | 4.78±0.10(Predicted) |
| 색상 | 흰색에서 약간 노란색 |
| 냄새 | 희미한 냄새 |
| 생물학적 소스 | synthetic |
| 용해도 | DMF(~3mg/ml), 뜨거운 메탄올, 물(25°C에서 0.15mg/ml), 클로로포름 및 에탄올(25°C에서 2.18mg/ml)에 용해됩니다. |
| Merck | 14,1023 |
| BRN | 1792887 |
| 헨리 상수 | 9.5×10-2 mol/(m3Pa) at 25℃, Abraham (2003) |
| 안정성 | 안정적인. 타기 쉬운. 염기, 산화제, 환원제와 호환되지 않습니다. |
| 화장품 원료 기능 | 계면활성제 - 세정세척제계면활성제 - 유화제불투명화 |
| InChI | 1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24) |
| InChIKey | UKMSUNONTOPOIO-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(O)=O |
| LogP(분배 계수) | 4.121-9.91 at 25℃ |
| NIST | Docosanoic acid(112-85-6) |
| EPA | Docosanoic acid (112-85-6) |
화학적 성질
white to cream crystals or powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 97.4% (185 of 190) of all reports.Not ClassifiedAggregated GHS information provided per 190 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Docosanoic acidRegulation (EC) No 178/2002 (amended)Docosanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Docosanoic 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: Active Update: 29-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14201Docosanoic acid: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Docosanoic acid: Human health tier I assessment |
| 화재 가능성 | Combustible |
| 유해성 요약 | No data available on effects as an irritant or sensitizerIn a feeding study of rats at doses up to 1000 mg/kg/day for 42 days, negative for toxic effects and no reproductive or developmental adverse effects[OECD SIDS: Docosanoic acid - 2001] An irritant[MSDSonline] |
| Special Reports | Organization for Economic Cooperation and DevelopmentScreening Information Data Set for Docosanoic acid (CAS #112-85-6) (November 6 - 9, 2001). Available from the Database Query page at: http://www.chem.unep.ch/irptc/sids/OECDSIDS/sidspub.html as of January 24, 2008. |
| EPA Safer Chemical | Chemical: Docosanoic acid |
| Hazard Classes and Categories | Not Classified |
| 처리 방법 | SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or water |
용도
용도
Docosanoic acid is a long-chain fatty acid,it has the following purposes: Waxes, textiles, pharmaceuticals, emulsifiers, and personal care products, lubricants, esters, chemical synthesis, and specialties.
개요
Docosanoic acid is a straight-chain, C22, long-chain saturated fatty acid. It has a role as a plant metabolite. It is a straight-chain saturated fatty acid and a long-chain fatty acid. It is a conjugate acid of a behenate.