N-Butyldiethanolamine (HCID 7620)

名称と識別子

優先名称: N-Butyldiethanolamine
IUPAC: 2-[butyl(2-hydroxyethyl)amino]ethanol
現地名: N-ブチルジエタノールアミン
英語名: 2,2'-(Butylimino)diethanol
分子式: C8H19NO2
分子量: 161.24

名称と別名

N-Butyldiethanolamine102-79-4ButyldiethanolamineEthanol, 2,2'-(butylimino)bis-2,2'-(Butylimino)diethanol2,2'-ButyliminodiethanolButylbis(2-hydroxyethyl)amineN,N-Bis(2-hydroxyethyl)butylamineN-Butyl-2,2'-iminodiethanolN-Butyl-N,N-bis(hydroxyethyl)amineEthanol, 2,2'-(butylimino)di-N-Butyl-N,N-bis(2-hydroxyethyl)amine

名称をさらに表示

N-ブチルジエタノールアミンN-ブチル-N,N-ジ(2-ヒドロキシエチル)アミン3-ブチル-3-アザペンタン-1,5-ジオールブチルジエタノールアミン2,2'-(ブチルイミノ)ビス(エタノール)2,2'-(ブチルイミノ)ビスエタノール2,2'-(ブチルイミノ)ジエタノールＮ－ブチル－Ｎ，Ｎ－ビス（ヒドロキシルエチル）アミンN-N-ブチル-2,2′-イミノジエタノールN-N-ブチルジエタノールアミンN,N-ビス(2-ヒドロキシエチル)ブチルアミンN‐N‐ブチル‐2,2′‐イミノジエタノールN-n-ブチルジエタノールアミン, 98%N-ブチル-2,2'-イミノジエタノ-ル1,1′-[イミノビス(エチレン)]ビス(3,5-ジメチル-1H-ピラゾール)ビス[2-(3,5-ジメチル-1H-ピラゾール-1-イル)エチル]アミン1,1′-イミノビス(エチレン)ビス(3,5-ジメチル-1H-ピラゾール)1,1′-(イミノビスエチレン)ビス(3,5-ジメチル-1H-ピラゾール)BIDEBDEATIMTEC-BBSBB00884ButyldiethanolaminTIMTEC-BB SBB008846Butlydiethanolamine2,2'-(Butylimino)diButylaminodiethanolButyliminodiethanol

butyl diethanolamine2,2'-(Butylimino)bisethanolNSC 60214Bis(beta-hydroxyethyl)butylamineDTXSID10443542-(N-Butyl-N-2-hydroxyethylamino)ethanolEINECS 203-055-0BRN 1739642

データベース識別子

CAS: 102-79-4
PubChem CID: 7620
DTXSID: DTXSID1044354
ChEMBL: CHEMBL3181802
UNII: H963NLD48W
EC Number: 203-055-0
Nikkaji: J5.515H

物性

構造計算による物性

XLogP: 0.1
極性表面積: 43.7 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 7
重原子数: 11
形式電荷: 0
複雑度: 72.5

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Ethanolamines

SpringerMaterials PropertiesOptical coefficient

Food Contact Substances · 2 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

Physical Description · 2 件

Liquid

Colorless to pale yellow liquid with a mild odor; [Taminco MSDS]

Collision Cross Section136.3 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID1044354]

物理化学的性質

融点: -70 °C · -70 °C (lit.)
沸点: 273 · 273-275 °C/741 mmHg (lit.)
比重(密度): 0.986 g/mL · 0.986 g/mL at 25 °C (lit.)
蒸気密度: 5.5 · 5.5 (vs air)
蒸気圧: 1 mm · 1 mm Hg ( 25 °C)
屈折率: 20 · n20/D 1.463(lit.)
闪点: 260 °F · 260 °F
貯蔵温度: 30 °C · Store below +30°C.
酸解離定数(Pka): 14.41 · 14.41±0.10(Predicted)
外見: 粉
比重: 0.97 · 0.970 (20/4℃)
色: 赤褐色～こげ茶色
PH: 10.8 · 10.8-11.1 (100g/l, H2O, 20℃)
爆発限界(explosive limit): 1.1 · 1.1-6.5%(V)
水溶解度: 混和性
BRN: 1739642 · 1739642
安定性: 安定。可燃性。強力な酸化剤とは相容れない。
化粧品成分の機能: バッファリング
InChI: 1S/C8H19NO2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3
InChIKey: GVNHOISKXMSMPX-UHFFFAOYSA-N
SMILES: CCCCN(CCO)CCO
LogP: 0.58 at · 0.58 at 25℃
CAS データベース: 102 · 102-79-4(CAS DataBase Reference)
NISTの化学物質情報: 2 · Ethanol, 2,2'-(butylimino)bis-(102-79-4)
EPAの化学物質情報: 2 · Ethanol, 2,2'-(butylimino)bis- (102-79-4)

化学的性質

化学的特性colourless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H314 (20.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 310 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]

危険有害性情報

Regulatory Information · 4 件

Chemical: Ethanol, 2,2'-(butylimino)bis-

Ethanol, 2,2'-(butylimino)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanol, 2,2'-(butylimino)bis- 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: 19-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/17804

Ethanol, 2,2'-(butylimino)bis-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Ethanol, 2,2'-(butylimino)bis-: Environment tier I assessment

Hazards SummaryA mild skin irritant; Corrosive to eyes; No sensitization observed in experimental animals; [Taminco MSDS] See 2-N-Dibutylaminoethanol.

Hazard Classes and Categories · 2 件

Skin Corr. 1B (20.6%)

Eye damage - category 1

安全データ

wgk: 1
tsca: TSCA listed
rtecs: KK0525000
毒性: LD50 orally in Rabbit: 4800 mg/kg
hs_code: 29221980
risk_code: 34-37
化審法: (2)-334
消防法: 危-4-3-III
hazard_code: C
safety_code: 26-36/37/39-45
自然発火温度: 260 °C
Hazard Classifications: Eye Dam. 1
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

UsesUsed as an additive; [Taminco MSDS]

U.S. Production2023: 1,000,000 - <8,500,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesIntermediate

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Ethanol, 2,2'-(butylimino)bis-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用N-Butyldiethanolamine (H2bdea, N-n-butyldiethanolamine) has been used in the synthesis of the following complexes (Hdnba = 3,5-dinitrobenzoic acid, Hpta = p-toluic acid, H2tpa = terephthalic acid):new mononuclear [Cu(Hbdea)2]·2Hdnba , dinuclear [Cu2(μ-Hbdea)2(N3)2] and [Cu2(μ-Hbdea)2(pta)2]·2H2O1D polymeric [Cu2(μ-Hbdea)2(μ-tpa)]n·2nH2O copper(II) compoundstetranuclear 3d-4f single-molecule magnet (SMM) complexes

一般的な説明N-Butyldiethanolamine (N-n-butyldiethanolamine) is a tertiary amine. It acts as an N-substituted diethanolamine ligand. It reacts with chromium(II) and lanthanide(III)/rare earth salts (Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Y) in the presence of coligands to afford three series of isostructural 1:1 3d(Cr(III))/4f(Ln(III)) coordination cluster compounds.

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N-ブチルジエタノールアミン

基本情報