기본 정보
- 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
이름 더 보기
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
Density
0.973 at 46 °F (NTP, 1992) - Less dense than water; will float
0.9535 @15°C
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 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
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]
물리화학적 성질
- 녹는점
- -63 °C · -63 °C
- 끓는 점
- 195 °C · 195 °C (lit.)
- 밀도
- 0.953 g/mL · 0.953 g/mL at 25 °C (lit.)
- 증기압
- 2.5 mm · 2.5 mm Hg ( 20 °C)
- 굴절률
- 20 · n20/D 1.435(lit.)
- 인화점
- 177 °F · 177 °F
- 저장 조건
- 20 °C · −20°C
- 용해도
- 클로로포름, 메탄올에 용해됨
- 물리적 상태
- 액체
- 색상
- 투명한
- 냄새
- 자극적인 냄새
- 수용성
- 물과 반응
- BRN
- 635917 · 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
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.)
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.
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].
Hazard Classes and Categories
Met. Corr. 1 (96.4%)
Corrosives, Flammable agents - 2nd degree, Reactive agents - 1st degree
안전 및 보호
First Aid
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.
Nonfire Spill Response
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.
Protective Action Criteria (PAC)
1.2 [mg/m3]
13 [mg/m3]
79 [mg/m3]
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RH1570000
- ridadr
- UN 3265 8/PG 2
- HS 번호
- 29159080
- risk_code
- 34-22-43-41-38-23
- hazard_code
- C,T
- safety_code
- 26-36/37/39-45-25-39-37-24
- 포장분류
- II
- 위험 등급
- 8
- Hazard Classifications
- Acute Tox. 2 InhalationEye Dam. 1Met. Corr. 1Skin Irrit. 2Skin Sens. 1
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- 함량 및 규제정보
- 물질구분: 유독물질; 혼합물(제품)함량정보: 옥타노일 클로라이드 및 이를 1% 이상 함유한 혼합물
- 유해화학물질 필터링
- 2018-1-845(신규화학물질)
화학 및 산업
용도 및 제조
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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