Octanoylchlorid

Octanoyl chloride

HCID 8124CAS 111-64-8

Grundinformationen

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

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Toxic Gases & Vapors -> Acid Halides

Corrosives

SpringerMaterials PropertiesBoiling point
Density · 2 Einträge

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 · 2 Einträge

177 °F (NTP, 1992)

177 °F

Boiling Point · 2 Einträge

385 °F at 760 mmHg (NTP, 1992)

195.6 °C @760 [mm Hg]

Physikochemische Eigenschaften

Schmelzpunkt
-63 °C · -63 °C
Siedepunkt
195 °C · 195 °C (lit.)
Dichte
0.953 g/mL · 0.953 g/mL at 25 °C (lit.)
Dampfdruck
2.5 mm · 2.5 mm Hg ( 20 °C)
Brechungsindex
20 · n20/D 1.435(lit.)
Flammpunkt
177 °F · 177 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 4 Einträge

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 · 1 Eintrag

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.

Hazards SummaryA severe skin, eye, mucous membrane, and respiratory tract irritant; A lachrymator; [CAMEO] Inhalation may cause chemical pneumonitis and pulmonary edema; [CAMEO] Corrosive; Harmful if swallowed; [MSDSonline]

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

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 · 1 Eintrag

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 EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Protective Action Criteria (PAC) · 3 Einträge

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.

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29159080
RTECS-Nr.
RH1570000
risk_code
34-22-43-41-38-23

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 · 1 Eintrag

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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