Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
카프릴로일 염화물
카프릴로일염화물 · 옥타노일 클로라이드 · 옥타노일클로라이드 · OctanoyL · N-OCTANOYL CHLORIDE · CAPRYLYL CHLORIDE · Octanoyl chlorid · OCTANOIC ACID CHLORIDE
식별자 및 물리적 특성
| CAS No. | 111-64-8 |
|---|---|
| 분자식 | C8H15ClO |
| 평균 분자량 | 162.66 g/mol |
| 단동위원소 질량 | 162.08114278 g/mol |
| SMILES | CCCCCCCC(=O)Cl |
| InChIKey | REEZZSHJLXOIHL-UHFFFAOYSA-N |
| PubChem CID | 8124 |
| ChEMBL | CHEMBL1504663 |
| EC No. | 203-891-6 |
| DTXSID | DTXSID9024724 |
| 현지명 | 카프릴로일 염화물 |
화학 및 물리적 성질
| XLogP | 4 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 91.3 |
| 물질 분류 | Toxic Gases & Vapors -> Acid HalidesCorrosives |
| SpringerMaterials Properties | Boiling point |
| 밀도 | 0.973 at 46 °F (NTP, 1992) - Less dense than waterwill float0.9535 @15°C0.953 g/mL at 25 °C (lit.) |
| 용해도 | less than 1 mg/mL at 70 °F (NTP, 1992)클로로포름, 메탄올에 용해됨 |
| 인화점 | 177 °F (NTP, 1992) |
| 끓는 점 | 385 °F at 760 mmHg (NTP, 1992)195.6 °C @760 [mm Hg]195 °C (lit.) |
| 녹는점 | -30.1 °F (NTP, 1992)-63 °C |
| 증기 밀도 | 5.6 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| 증기압 | 12.7 mmHg at 77 °F22.5 mmHg at 108 °F (NTP, 1992)12.7 [mmHg]2.5 [mm Hg] @20 °C2.5 mm Hg ( 20 °C) |
| Physical Description | Caprylyl chloride is a clear colorless to straw-colored liquid with a pungent odor. (NTP, 1992)Clear colorless to straw-colored liquid with a pungent odor[CAMEO] |
| 굴절률 | n20/D 1.435(lit.) |
| 저장 조건 | −20°C |
| 물리적 상태 | 액체 |
| 색상 | 투명한 |
| 냄새 | 자극적인 냄새 |
| 용해도 | 물과 반응 |
| BRN | 635917 |
| 안정성 | 수분에 민감한 |
| InChI | 1S/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3 |
| InChIKey | REEZZSHJLXOIHL-UHFFFAOYSA-N |
| SMILES | CCCCCCCC(Cl)=O |
| NIST | Octanoyl chloride(111-64-8) |
| EPA | Octanoyl chloride (111-64-8) |
화학적 성질
clear liquid
안전 및 규제
| GHS 분류 | DangerH290 (96.4%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P354+P338, P316, P317, P320, P321, P332+P317, P333+P317, P362+P364, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 167 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Octanoyl chlorideStatus: Active Update: 10-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13360Octanoyl chloride: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 기타 안전 정보 | IMAP assessments - Octanoyl chloride: Human health tier I assessment |
| 운송 라벨(DOT) | Corrosive |
| 화재 위험 | This chemical is combustible. (NTP, 1992) |
| 건강 유해성 | SYMPTOMS: Symptoms of exposure to this compound may include eye and skin irritation. Inhalation may be fatal as a result of spasm, inflammation and edema of the larynx and bronchi, chemical pneumonitis and pulmonary edema. Other symptoms include a burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, vomiting and lacrimation. This compound is extremely destructive to tissue of the mucous membranes, upper respiratory tract, eyes and skin. |
| 유해성 요약 | A severe skin, eye, mucous membrane, and respiratory tract irritantA lachrymator[CAMEO] Inhalation may cause chemical pneumonitis and pulmonary edema[CAMEO] CorrosiveHarmful if swallowed[MSDSonline] |
| 반응성 그룹 | Acyl Halides, Sulfonyl Halides, and Chloroformates |
| Reactivity Alerts | Water-Reactive |
| Reactivity Profile | CAPRYLYL CHLORIDE is incompatible with bases (including amines), water, alcohols, and with oxidizing agents (NTP, 1992). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291]. |
| Air and Water Reactions | Reacts vigorously with water to form HCl and caprylic acid. Insoluble in water. |
| Hazard Classes and Categories | Met. Corr. 1 (96.4%)Corrosives, Flammable agents - 2nd degree, Reactive agents - 1st degree |
| 소화 | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: If you should spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]: |
| Protective Action Criteria (PAC) | 1.2 [mg/m3]13 [mg/m3]79 [mg/m3] |
| Personal Protective Equipment (PPE) | MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves. |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | RH1570000 |
| 운송 번호(UN) | UN 3265 8/PG 2 |
| 관세 코드 | 29159080 |
| 위험 문구(R) | 34-22-43-41-38-23 |
| 위험 표시 | C,T |
| 안전 문구(S) | 26-36/37/39-45-25-39-37-24 |
| 포장분류 | II |
| 위험 등급 | 8Acute Tox. 2 InhalationEye Dam. 1Met. Corr. 1Skin Irrit. 2Skin Sens. 1 |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
| 함량 및 규제정보 | 물질구분: 유독물질혼합물(제품)함량정보: 옥타노일 클로라이드 및 이를 1% 이상 함유한 혼합물 |
| 유해화학물질 필터링 | 2018-1-845(신규화학물질) |
용도
용도
Octanoyl chloride is used to produce adhesives. It is used as an acylating agent for a variety of compounds such as sugars (e.g. Sucrose, aromatic compounds (e.g. Anisole and monoglycerides.
일반 설명
Clear colorless to straw-colored liquid with a pungent odor.
제조 및 합성 방법
제조 방법
Diphosgene (108.8 g) was added to a mixture of octanoic acid (144.2 g) and DMF (1.5 L) at 70 C°. The mixture was left to stand for 1 h, and then nitrogen was bubbled through it for 30 min at 100 C° to give 96.9% of octanoyl chloride (purity 99.99%). Benzoyl chloride and terephthaloyl chloride were similarly prepared.