도데칸오일 클로라이드
도데칸오일클로라이드 · 도데칸오일 클로라이드 · 염화라우로일 · DODECANOYL CHLORIDE · LACL · N-DODECANOYL CHLORIDE · Lauric chloride · LAUROYL CHLORIDE
식별자 및 물리적 특성
| CAS No. | 112-16-3 |
|---|---|
| 분자식 | C12H23ClO |
| 평균 분자량 | 218.76 g/mol |
| 단동위원소 질량 | 218.143743 g/mol |
| SMILES | CCCCCCCCCCCC(=O)Cl |
| InChIKey | NQGIJDNPUZEBRU-UHFFFAOYSA-N |
| PubChem CID | 8166 |
| ChEMBL | CHEMBL3561663 |
| EC No. | 203-941-7 |
| DTXSID | DTXSID5044368 |
| 현지명 | 도데칸오일 클로라이드 |
화학 및 물리적 성질
| XLogP | 5.2 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 10 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 134 |
| Color/Form | WATER-WHITE LIQUID |
| 용해도 | SOL IN ETHER에탄올과 메탄올에 용해됩니다. |
| 끓는 점 | 145 °C @ 18 MM HG134-137 °C/11 mmHg (lit.) |
| 녹는점 | -17 °C |
| 굴절률 | INDEX OF REFRACTION: 1.4458 @ 20 °C/Dn20/D 1.445 |
| Physical Description | LiquidWater white liquid[HSDB] Colorless liquid[MSDSonline] |
| Other Experimental Properties | DECOMP IN WATER, ALCOHOL |
| 밀도 | 0.946 g/mL at 25 °C (lit.) |
| 증기압 | 0.5Pa at 20℃ |
| 인화점 | >230 °F |
| 저장 조건 | Store below +30°C. |
| 물리적 상태 | 액체 |
| 색상 | 투명한 |
| 용해도 | 물과 반응 |
| BRN | 1281201 |
| 안정성 | 안정적인. 강한 산화제, 아민, 강염기와 호환되지 않습니다. 물이나 습기에 닿지 않도록 하세요. |
| InChI | 1S/C12H23ClO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3 |
| InChIKey | NQGIJDNPUZEBRU-UHFFFAOYSA-N |
| SMILES | CCCCCCCCCCCC(Cl)=O |
| NIST | Dodecanoyl chloride(112-16-3) |
| EPA | Dodecanoyl chloride (112-16-3) |
화학적 성질
colourless to light yellow liquid with odor of hydrochloric acid. Soluble in ether, decomposed in water and alcohol.
안전 및 규제
| GHS 분류 | DangerH290 (17.2%): May be corrosive to metals [Warning Corrosive to Metals]H314 (99.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H317 (56.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]H318 (57%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P234, P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 186 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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: Dodecanoyl chlorideDodecanoyl chloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecanoyl chloride 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: 07-10-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/1369Status: Active Update: 13-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/14344Lauroyl chloride: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Dodecanoyl chloride: Human health tier I assessmentIMAP assessments - Dodecanoyl chloride: Environment tier I assessment |
| 유해성 요약 | Reacts violently with waterA corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline] |
| Hazard Classes and Categories | Met. Corr. 1 (17.2%)Skin Corr. 1B (99.5%)Skin Sens. 1 (56.5%)Eye Dam. 1 (57%) |
| 유해 작용 | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 독성 | LD50 orally in Rabbit: 200 - 2000 mg/kg |
| 관세 코드 | 29159080 |
| 위험 문구(R) | 34-37-29-22-14 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45-8 |
| 포장분류 | II |
| 위험 등급 | 8Skin Corr. 1B |
| 기존화학 물질 | 2002-3-2130 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
| 유해 물질 데이터 | 112-16-3(Hazardous Substances Data) |
용도
용도
Lauroyl chloride is used as tailoring agent for chemical modification of nanocelluloses of different length, nanofibrillated cellulose and cellulose nanocrystals and in the preparation of acylated collagen with water solubility and better surface activity. It is also employed as organic low-friction boundary lubricant in the preparation of novel polyvinyl alcohol hydrogel.It is used in the synthesis of hemicellulose-based hydrophobic biomaterials.
제조 및 합성 방법
제조 방법
Lauroyl chloride is synthesized by the reaction of lauric acid with thionyl chloride. Reaction: The flask was charged with lauric acid 1330 (200 g, 1.0 mol) and catalyst (imidazole, 2-methyl imidazole, 2.0 mol% based on the acid), and the mixture was heated with stirring to 90 C°. The stirred mixture was maintained at 90 C° for 1 h, at which time gaseous phosgene was introduced below the surface of the liquid at such a rate as to maintain a gentle phosgene reflux from the deflamator. Phosgene addition was regulated and calculated with the aid of a tubular flowmeter. The reaction was continued, generally within the temperature range 80–100 C°, until hydrogen chloride was no longer evolved (cessation of heat generation at the top of the water scrubber). The phosgene feed was stopped and the reaction mixture was kept at 85–95 C° with gentle phosgene reflux from the deflamator until the evolution of carbon dioxide had ceased (30–60 min, as evidenced by cessation of the gas entering at the base of the scrubber column). Occasionally, additional phosgene was required during this period to maintain phosgene reflux and to complete the reaction. Following complete reaction, the deflamator was replaced by a 10-in. (25 cm) glass helix packed distillation column fitted with a total reflux head, and dissolved phosgene was removed from the stirred reaction product by purging with dry nitrogen at 90 C° for 2 h. The product was distilled at 10 mmHg as a single fraction. Yield: 91–94.5% of lauroyl chloride.