n-オクタノイルクロリド

Octanoyl chloride

HCID 8124CAS 111-64-8

基本情報

標準SMILES
CCCCCCCC(=O)Cl
InChIKey
REEZZSHJLXOIHL-UHFFFAOYSA-N
分子式
C8H15ClO
平均分子量
162.66 g/mol
単同位体質量
162.08114278

概要

Caprylyl chloride is a clear colorless to straw-colored liquid with a pungent odor. (NTP, 1992)

名称と識別子

優先名称
Octanoyl chloride
IUPAC
octanoyl chloride
現地名
n-オクタノイルクロリド
英語名
Octanoyl chloride
分子式
C8H15ClO
分子量
162.66

名称と別名

Octanoyl chloride111-64-8Capryloyl chlorideCAPRYLYL CHLORIDEn-Octanoyl chlorideCaprylic acid chlorideOctanoic acid chlorideOctanoic chlorideMFCD00000766DTXSID9024724BK8FUS6OVToctanoylchloride
名称をさらに表示
n-オクタノイルクロリドオクタン酸クロリドカプリリルクロリドカプリロイルクロリドオクタノイルクロリド化カプリロイルカプリル酸クロライド塩化N-オクタノイル塩化カプリリル塩化オクタノイル塩化N-カプリロイル塩化 n-カプリリルオクタノイル=クロリド塩化N‐オクタノイル塩化オクタノイル, 99%OctanoyLOctanoyl chloridOTCLXin chlorideCaprylyl chloridoctanoicchloriden-Caprylchloride
CCRIS 5990EINECS 203-891-6BRN 0635917caprylic chlorideoctanoyl- chlorideUNII-BK8FUS6OVTC7H15COClOctanoyl chloride, 99%

データベース識別子

CAS
111-64-8
PubChem CID
8124
DTXSID
DTXSID9024724
ChEMBL
CHEMBL1504663
UNII
BK8FUS6OVT
EC Number
203-891-6
Nikkaji
J95.913H

物性

構造計算による物性

XLogP
4
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
6
重原子数
10

実験および物理化学的性質

Chemical Classes · 2 件

Toxic Gases & Vapors -> Acid Halides

Corrosives

SpringerMaterials PropertiesBoiling point
Density · 2 件

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 件

177 °F (NTP, 1992)

177 °F

Boiling Point · 2 件

385 °F at 760 mmHg (NTP, 1992)

195.6 °C @760 [mm Hg]

物理化学的性質

融点
-63 °C · -63 °C
沸点
195 °C · 195 °C (lit.)
比重(密度)
0.953 g/mL · 0.953 g/mL at 25 °C (lit.)
蒸気圧
2.5 mm · 2.5 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.435(lit.)
闪点
177 °F · 177 °F

化学的性質

化学的特性clear liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 4 件

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 件

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]

安全と保護具

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

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 件

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 件

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.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

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

化学と産業

用途と製造

UsesUsed to make other organic chemicals; [Hawley]
General Manufacturing InformationOctanoyl chloride: ACTIVE

応用分野

使用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.

一般的な説明Clear colorless to straw-colored liquid with a pungent odor.

調製方法 · 1 件

製造方法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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関連反応

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