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3-(2-エチルヘキシルオキシ)プロピルアミン

2-Ethylhexyl 3-aminopropyl ether

HCID 21499
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
5397-31-9
標準SMILES
CCCCC(CC)COCCCN
InChIKey
DVFGEIYOLIFSRX-UHFFFAOYSA-N
分子式
C11H25NO
平均分子量
187.32 g/mol
単同位体質量
187.19361442

概要

3-((2-ethylhexyl)oxy)propylamine is a colorless liquid. (NTP, 1992)

名称と識別子

優先名称
2-Ethylhexyl 3-aminopropyl ether
IUPAC
3-(2-ethylhexoxy)propan-1-amine
現地名
3-(2-エチルヘキシルオキシ)プロピルアミン
英語名
2-Ethylhexyloxypropylamine
分子式
C11H25NO
分子量
187.32

名称と別名

5397-31-92-Ethylhexyloxypropylamine2-Ethylhexyl 3-aminopropyl ether3-(2-Ethylhexyloxy)propylamine3-(2-Ethylhexoxy)propylamine3-((2-Ethylhexyl)oxy)propylamine3-[(2-Ethylhexyl)oxy]propylaminePropylamine, 3-(2-ethylhexoxy)-1-Propanamine, 3-[(2-ethylhexyl)oxy]-NSC 1078CCRIS 4648Propylamine, 3-((2-ethylhexyl)oxy)-
名称をさらに表示
3-(2-エチルヘキシルオキシ)プロピルアミン3-[(2-エチルヘキシル)オキシ]-1-プロパンアミン3-(2-エチルヘキシルオキシ)-1-プロパンアミン2-エチルヘキシルオキシプロピルアミン3-[(2-エチルヘキシル)オキシ]プロピルアミン3-アミノプロピル2-エチルヘキシルエーテル3-(2-エチルヘキシル)プロピルアミン3-アミノプロピルオクチルエーテルn-プロパノールアミン2-エチルヘキシルエーテル3-(2-エチルヘキシルオキシ)-プロピルアミン3-[(2-エチルヘキシル)オキシ]プロパン-1-アミン3-[(3-アミノプロピルオキシ)メチル]ヘプタン2EHOPAPA 12EHFENTAMINE OPA-8EH2-Ethylhexyloxypropy3-ISOOCTOXYL PROPYLAMINEethylhexyloxypropylaMine3-AMINOPROPYL OCTYL ETHER2-ETHYLHEXYLOXY PROPYLAMINE
DTXSID10253043-Aminopropyl 2-Ethylhexyl Ether1-Propanamine, 3-((2-ethylhexyl)oxy)-NSC-1078EINECS 226-420-6Propylamine, 3-[(2-ethylhexyl)oxy]-BRN 1740535TOMAMINE PA-12EH

データベース識別子

CAS
5397-31-9、76461-78-4
PubChem CID
21499
DTXSID
DTXSID1025304
ChEMBL
CHEMBL1331832
ChEBI
CHEBI:194207
UNII
N09409V116
EC Number
226-420-6、616-336-1
Nikkaji
J35.195D

物性

構造計算による物性

XLogP
2.6
極性表面積
35.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
9
重原子数
13
形式電荷
0
複雑度
96.1

実験および物理化学的性質

Solubility1 to 5 mg/mL at 68.9 °F (NTP, 1992)
Flash Pointgreater than 200 °F (NTP, 1992)
Physical Description · 2 件

3-((2-ethylhexyl)oxy)propylamine is a colorless liquid. (NTP, 1992)

Liquid

物理化学的性質

沸点
152 °C13 · 152 °C13 mm Hg(lit.)
比重(密度)
0.848 g/mL · 0.848 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.438(lit.)
闪点
217 °F · 217 °F
貯蔵温度
2 · Keep in dark place,Sealed in dry,2-8°C
溶解性
15 g/リットル · 15g/リットル
酸解離定数(Pka)
9.76 · 9.76±0.10(Predicted)
外見
clear liquid
色
Colorless to Almost colorless
爆発限界(explosive limit)
1 · 1-4.7%(V)
水溶解度
20.5 ℃で0.1~0.5g/100mL · 20.5℃で0.1~0.5g/100mL
InChI
InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3
InChIKey
DVFGEIYOLIFSRX-UHFFFAOYSA-N
SMILES
C(N)CCOCC(CC)CCCC
CAS データベース
5397 · 5397-31-9(CAS DataBase Reference)
EPAの化学物質情報
3 · 3-[(2-Ethylhexyl)oxy]propylamine (5397-31-9)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2214 reports by companies from 9 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-Propanamine, 3-[(2-ethylhexyl)oxy]-

1-Propanamine, 3-[(2-ethylhexyl)oxy]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanamine, 3-[(2-ethylhexyl)oxy]- 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)

REACH registered substance: 3-(2-ethylhexyloxy)propylamine (EC: 226-420-6)

1-Propanamine, 3-(2-ethylhexyl)oxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

DOT LabelPoison
Fire HazardsFlash point for this compound is >93 C (>200 F). It is combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 件

3-((2-ETHYLHEXYL)OXY)PROPYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsSlightly soluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全と保護具

Fire FightingFires involving this material can be controlled by using a carbon dioxide, dry chemical, 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, 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 strong 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 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. Splash proof safety goggles should be worn while handling this chemical. Alternatively, a full face respirator, equipped as above, may be used to provide simultaneous eye and respiratory protection. (NTP, 1992)

安全データ

wgk
3
tsca
TSCA listed
rtecs
UI2820000
ridadr
UN 2922 8/PG 3
hs_code
2922.50.5000
risk_code
22-24-34-52
化審法
(2)-385, (2)-389
消防法
危-4-3-III
hazard_code
T
safety_code
26-27-36-45
hazard_class
6.1
packing_group
III

化学と産業

用途と製造

U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

1-Propanamine, 3-[(2-ethylhexyl)oxy]-: ACTIVE

応用分野

一般的な説明Colorless liquid.

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関連反応

2 件
反応記録を作成
HRID 827660 の反応式
HRID 827660反応物としてTest data from https://doi.org/10.1039/C8SC04228D
HRID 2114526 の反応式
HRID 2114526反応物としてuspto-grants-2008_10

化合物ノート

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