카프릴로일 염화물
Octanoyl chloride
기본 정보
- CAS
111-64-8- 표준 SMILES
CCCCCCCC(=O)Cl- InChIKey
REEZZSHJLXOIHL-UHFFFAOYSA-N- 분자식
- C8H15ClO
- 평균 분자량
- 162.66 g/mol
- 단동위원소 질량
- 162.08114278
개요
Caprylyl chloride is a clear colorless to straw-colored liquid with a pungent odor. (NTP, 1992)
이름 및 식별자
- 우선 이름
- Octanoyl chloride
- IUPAC
- octanoyl chloride
- 현지명
- 카프릴로일 염화물
- 영어명
- Octanoyl chloride
- 분자식
- C8H15ClO
- 분자량
- 162.66
이름 및 동의어
Octanoyl chloride111-64-8Capryloyl chlorideCAPRYLYL CHLORIDEn-Octanoyl chlorideCaprylic acid chlorideOctanoic acid chlorideOctanoic chlorideMFCD00000766DTXSID9024724BK8FUS6OVToctanoylchloride
이름 더 보기
카프릴로일염화물카프릴로일염화물옥타노일 클로라이드옥타노일클로라이드OctanoyLOctanoyl chloridOTCLXin chlorideCaprylyl chloridoctanoicchloriden-Caprylchloride
CCRIS 5990EINECS 203-891-6BRN 0635917caprylic chlorideoctanoyl- chlorideUNII-BK8FUS6OVTC7H15COClOctanoyl chloride, 99%
데이터베이스 식별자
- CAS
111-64-8- PubChem CID
- 8124
- DTXSID
DTXSID9024724- ChEMBL
CHEMBL1504663- UNII
- BK8FUS6OVT
- EC Number
- 203-891-6
- Nikkaji
- J95.913H
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 17.1 Ų
- 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
실험 및 물리화학적 성질
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Corrosives
SpringerMaterials PropertiesBoiling point
Density
0.973 at 46 °F (NTP, 1992) - Less dense than water; will float
0.9535 @15°C
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Flash Point
177 °F (NTP, 1992)
177 °F
Boiling Point
385 °F at 760 mmHg (NTP, 1992)
195.6 °C @760 [mm Hg]
Melting Point
-30.1 °F (NTP, 1992)
-63 °C
Vapor Density5.6 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure
12.7 mmHg at 77 °F ; 22.5 mmHg at 108 °F (NTP, 1992)
12.7 [mmHg]
2.5 [mm Hg] @20 °C
Physical Description
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H290 (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.
유해성 정보
Regulatory Information
Chemical: Octanoyl chloride
Status: Active Update: 10-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13360
Octanoyl chloride: Does not have an individual approval but may be used under an appropriate group standard
The 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.)
Other Safety InformationIMAP assessments - Octanoyl chloride: Human health tier I assessment
DOT LabelCorrosive
Fire HazardsThis chemical is combustible. (NTP, 1992)
Health Hazards
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.
화학 및 산업
용도 및 제조
UsesUsed to make other organic chemicals; [Hawley]
General Manufacturing InformationOctanoyl chloride: ACTIVE
응용 분야
용도Octanoyl 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 설명Clear colorless to straw-colored liquid with a pungent odor.
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.
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