Dimethyloctylamine (HCID 16224)

名称と識別子

優先名称: Dimethyloctylamine
IUPAC: N,N-dimethyloctan-1-amine
現地名: N,N-ジメチル-n-オクチルアミン
英語名: N,N-Dimethyloctylamine
分子式: C10H23N
分子量: 157.3

名称と別名

N,N-Dimethyloctylamine7378-99-6N,N-Dimethyl-n-octylamineOctyldimethylamineDimethyloctylamineN-Octyldimethylamine1-Octanamine, N,N-dimethyl-Octylamine, N,N-dimethyl-DTXSID203629920N7H7X4SDNSC-63928DTXCID0016299

名称をさらに表示

N,N-ジメチル-n-オクチルアミンオクチルジメチルアミンN,N-ジメチルオクタン-1-アミンジメチルオクチルアミンN,N-ジメチルオクチルアミンファルミンDM-08PN,N-ジメチル-1-オクタンアミンN-オクチルジメチルアミンN-n-オクチルジメチルアミンN,N‐ジメチルオクチルアミンN,NDMOAAdma8N,N-DimethyloctylaminN1,N1-DIMETHYLOCTAN-1-AMINENRTN

RefChem:167909230-939-3N,N-dimethyloctan-1-amineDimethyl(octyl)amineDimethyl-N-octylamine1-(Dimethylamino)octaneN,N-Dimethyl-1-octanamineC10H23N

データベース識別子

CAS: 7378-99-6
PubChem CID: 16224
DTXSID: DTXSID2036299
ChEMBL: CHEMBL3183197
UNII: 20N7H7X4SD
EC Number: 230-939-3
Nikkaji: J97.830B

物性

構造計算による物性

XLogP: 4.2
極性表面積: 3.2 Å²
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: 7
重原子数: 11
形式電荷: 0
複雑度: 69.3

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionLiquid

物理化学的性質

融点: -57 °C · -57 °C (lit.)
沸点: 195 °C · 195 °C (lit.)
比重(密度): 0.765 g/mL · 0.765 g/mL at 25 °C (lit.)
蒸気密度: 5.4 · 5.4 (vs air)
蒸気圧: 0.8 mm · 0.8 mm Hg ( 25 °C)
屈折率: 20 · n20/D 1.424(lit.)
闪点: 149 °F · 149 °F
貯蔵温度: 30 °C · Store below +30°C.
外見: 液体
酸解離定数(Pka): 9.86 · 9.86±0.28(Predicted)
色: クリア
水溶解度: わずかに溶ける
BRN: 1698081 · 1698081
Henry's Law Constant: 2 · 2.0×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C10H23N/c1-4-5-6-7-8-9-10-11(2)3/h4-10H2,1-3H3
InChIKey: UQKAOOAFEFCDGT-UHFFFAOYSA-N
SMILES: CCCCCCCCN(C)C
LogP: 2.17 at · 2.17 at 21℃
CAS データベース: 7378 · 7378-99-6(CAS DataBase Reference)
NISTの化学物質情報: N,N-Dimethyloctylamine(7378-99-6)
EPAの化学物質情報: N,N-Dimethyloctylamine (7378-99-6)

化学的性質

化学的特性Liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (92.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 203 reports by companies from 10 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: 1-Octanamine, N,N-dimethyl-

1-Octanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanamine, N,N-dimethyl- 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: No longer Valid Update: 30-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25761

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

Hazard Classes and CategoriesAcute Tox. 3 (92.6%)

安全データ

F: 10-23
wgk: 3
tsca: TSCA listed
rtecs: RG8075000
ridadr: UN 2922 8/PG 3
毒性: LD50 orally in Rabbit: 162 mg/kg
hs_code: 29211980
risk_code: 25-37/38-41-34-36/37
化審法: (2)-176
消防法: 危-4-2-III
hazard_code: T,C
safety_code: 26-39-45-36/37/39-27
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Repr. 1BSkin Corr. 1BSkin Sens. 1
ストレージクラス: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

化学と産業

用途と製造

U.S. Production2023: 550,000 - <700,000 lb

Consumer UsesIntermediate

Industry UsesSurfactant (surface active agent)

General Manufacturing Information · 2 件

Wholesale and Retail Trade

1-Octanamine, N,N-dimethyl-: ACTIVE

応用分野

使用Barlene(R) 8S is a tertiary amine used typically as an intermediate in the manufacture of quaternary ammonium compounds.

上流・下流製品情報

上流原料

n-オクチルアミン N-メチルジ-n-オクチルアミン N-メチル-1-オクタンアミンジ-n-オクチルアミンメタノール

下流製品

N,N-ジメチル-1-オクタンアミンN-オキシドジメチル(n-オクチル)(3-スルホプロピル)アンモニウムヒドロキシド分子内塩 [生化学用]

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N,N-ジメチル-n-オクチルアミン

基本情報