Octanoylchlorid
Octanoyl chloride
Grundinformationen
- CAS
111-64-8- Standard-SMILES
CCCCCCCC(=O)Cl- InChIKey
REEZZSHJLXOIHL-UHFFFAOYSA-N- Summenformel
- C8H15ClO
- Durchschnittliche Molmasse
- 162,66 g/mol
- Monoisotopische Masse
- 162,08114278
Überblick
Caprylyl chloride is a clear colorless to straw-colored liquid with a pungent odor. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- Octanoyl chloride
- IUPAC
- octanoyl chloride
- Lokaler Name
- Octanoylchlorid
- Englischer Name
- Octanoyl chloride
- Summenformel
- C8H15ClO
- Molmasse
- 162.66
Namen und Synonyme
Octanoyl chloride111-64-8Capryloyl chlorideCAPRYLYL CHLORIDEn-Octanoyl chlorideCaprylic acid chlorideOctanoic acid chlorideOctanoic chlorideMFCD00000766DTXSID9024724BK8FUS6OVToctanoylchloride
Weitere Namen anzeigen
OctanoyLOctanoyl chloridOTCLXin chlorideCaprylyl chloridoctanoicchloriden-Caprylchloride
CCRIS 5990EINECS 203-891-6BRN 0635917caprylic chlorideoctanoyl- chlorideUNII-BK8FUS6OVTC7H15COClOctanoyl chloride, 99%
Datenbank-Bezeichner
- CAS
111-64-8- PubChem CID
- 8124
- DTXSID
DTXSID9024724- ChEMBL
CHEMBL1504663- UNII
- BK8FUS6OVT
- EC Number
- 203-891-6
- Nikkaji
- J95.913H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 91,3
Experimentelle und physikochemische Eigenschaften
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
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
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.
Gefahrenhinweise
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.
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to make other organic chemicals; [Hawley]
General Manufacturing InformationOctanoyl chloride: ACTIVE
Anwendungen
VerwendenOctanoyl 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.
Darstellung
synthetischeDiphosgene (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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