Octylamine (HCID 8143)

概要

Octanamine appears as a yellow liquid with an ammonia-like odor. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.

名称と識別子

優先名称: Octylamine
IUPAC: octan-1-amine
現地名: n-オクチルアミン
英語名: Octylamine
分子式: C8H19N
分子量: 129.24

名称と別名

Octylamineoctan-1-amineN-OCTYLAMINE111-86-41-Aminooctane1-Octanamine1-OctylamineCaprylamineCaprylylamineOctanamineArmeen 8Armeen 8D

名称をさらに表示

n-オクチルアミンオクチルアミンオクタン-1-アミンアルメーン8Dモノオクチルアミンアルミーン8Dアルミーン81-オクタンアミンアルメーン81-アミノオクタンカプリリルアミンｎオクチルアミン1-アミノオクタン(n-オクチルアミン)n-オクタン-1-アミンN‐オクチルアミン1-オクチルアミンn - オクチルアミン1-オクチルアミン, 99%AMINE C8Octylaminocylaminearmeen8

MonoctylamineDTXSID8021939SF0V8U4T67GENAMIN 8RNSC-9824CHEBI:7728DTXCID401939RefChem:167904

データベース識別子

CAS: 111-86-4、68037-94-5
PubChem CID: 8143
DTXSID: DTXSID8021939
ChEMBL: CHEMBL1160509
ChEBI: CHEBI:7728
UNII: SF0V8U4T67
EC Number: 203-916-0
Nikkaji: J5.115B

物性

構造計算による物性

XLogP: 3.1
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 6
重原子数: 9
形式電荷: 0
複雑度: 43.8

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic

SpringerMaterials PropertiesBoiling point

Density0.779 @ 20°C

Vapor Pressure0.96 [mmHg]

Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)

Physical Description · 3 件

Octanamine appears as a yellow liquid with an ammonia-like odor. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.

Liquid

Yellow liquid with an ammoniacal odor; [CAMEO] Clear colorless liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 5 · −5-−1 °C(lit.)
沸点: 175 · 175-177 °C(lit.)
比重(密度): 0.782 g/mL · 0.782 g/mL at 25 °C(lit.)
蒸気圧: 1 mm · 1 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.429(lit.)
闪点: 145 °F · 145 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 0.32 g/リットル · 0.32g/リットル
外見: 液体
酸解離定数(Pka): 10.65 · 10.65(at 25℃)
色: クリア
PH: 11.8 · 11.8 (100g/l, H2O, 25℃)
臭い (Odor): 強い生臭いアンモニア臭
爆発限界(explosive limit): 1.6 · 1.6-8.2%(V)
水溶解度: 0.2 g/L · 0.2g/L(25℃)
BRN: 1679227 · 1679227
Henry's Law Constant: 2.2 · 2.2×10-1 mol/(m3Pa) at 25℃, Brockbank (2013)
Dielectric constant: 3.58 · 3.5800000000000001
InChI: 1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
InChIKey: IOQPZZOEVPZRBK-UHFFFAOYSA-N
SMILES: CCCCCCCCN
LogP: 3.46 at · 3.46 at 20℃
CAS データベース: 111 · 111-86-4(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-Octanamine(111-86-4)
EPAの化学物質情報: Octylamine (111-86-4)

化学的性質

化学的特性CLEAR LIQUID

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H226 (95.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 790 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]

危険有害性情報

Regulatory Information · 4 件

Chemical: 1-Octanamine

1-Octanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanamine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 28-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/1996

Octylamine: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive

Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Hazards Summary · 1 件

A severe eye irritant; Causes somnolence in dermal lethal-dose studies of rabbits; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Harmful by ingestion, inhalation, and skin absorption; [Sigma-Aldrich MSDS]

Reactive GroupAmines, Phosphines, and Pyridines

安全と保護具

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

First AidExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Protective Action Criteria (PAC) · 3 件

1.1 [mg/m3]

12 [mg/m3]

71 [mg/m3]

Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

wgk: 2
tsca: TSCA listed
rtecs: RG8050000
ridadr: UN 2735 8/PG 2
毒性: LD50 orally in Rabbit: > 250 mg/kg LD50 dermal Rabbit 200 - 2000 mg/kg
hs_code: 29211980
risk_code: 34-50-35-20/21/22
化審法: (2)-133 優先評価化学物質
消防法: 危-4-2-III
hazard_code: C,N
safety_code: 26-36/37/39-45-61-29
hazard_class: 8
packing_group: II
自然発火温度: 265 °C
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 OralAcute Tox. 4 InhalationAquatic Acute 1Aquatic Chronic 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1ASTOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

UsesUsed to make other chemicals; [CAMEO] Used to make large scale and fine chemicals, in functional fluids, and as a laboratory reagent; [ExPub: ECHA REACH Registrations]

U.S. Production2023: 1,000,000 - <2,500,000 lb

Consumer UsesLubricating agent

Industry UsesIntermediate

General Manufacturing Information · 2 件

Computer and Electronic Product Manufacturing

1-Octanamine: ACTIVE

応用分野 · 4 件

用途殺生物剤、殺虫剤および医薬品などの中間体

使用1-Octylamine is used as a precursor to prepare chemicals. It finds application in functional fluids and as a laboratory reagent. Further, it is used as a reactant in the preparation of 2H-indazoles and 1H-indazolones, which are used as myeloperoxidase(MPO) inhibitors.

一般的な説明A yellow liquid with an ammonia-like odor. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.

使用用途1-オクチルアミンの使用用途は、以下の通りです。道路用アスファルト乳化剤ゴム離型剤グリース用増稠剤浮遊選鉱剤衣料柔軟剤 (陽イオン性界面活性剤) 両性界面活性剤原料防錆・防食剤肥料固結防止剤加硫促進剤印刷インキトナーまた、抗菌・殺生物剤であるオクテニジンや、N-オクチルピロリドンなどの中間体としても使用されます。広義のオクチルアミンとして、ジオクチルアミンは、トリオクチルアミンは溶剤抽出剤や水処理剤、溶剤抽出剤、金属元素に対する陰イオン交換体などに使われています。