Pentaethylenehexamine (HCID 19990)

概要

Yellowish liquid with an odor of ammonia. (USCG, 1999)

名称と識別子

優先名称: Pentaethylenehexamine
IUPAC: N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
現地名: ペンタエチレンヘキサミン
英語名: PENTAETHYLENEHEXAMINE
分子式: C10H28N6
分子量: 232.37

名称と別名

PENTAETHYLENEHEXAMINE4067-16-7PEHA3,6,9,12-Tetraazatetradecane-1,14-diamine3,6,9,12-Tetraazatetradecamethylenediamine9K5VZU43LE1,4,7,10,13,16-hexaazahexadecaneDTXSID7025843PENTAENRefChem:171361DTXCID505843223-775-9

名称をさらに表示

ペンタエチレンヘキサミンペンタエチレンヘキサアミンN,N''-[エチレンビス(イミノエチレン)]ビス(エチレンジアミン)3,6,9,12-テトラアザテトラデカン-1,14-ジアミン2,2'-[エチレンビス(イミノエチレンイミノ)]ビス(エタンアミン)1,4,7,10,13,16-ヘキサアザヘキサデカン3，6，9，12-テトラアザテトラデカン-1，14-ジイルジアミンペンタエチレンヘキサミン (混合物)2,2′-[エチレンビス(イミノエチレンイミノ)]ビス(エタンアミン)2,2′-エチレンビス(イミノエチレンイミノ)ビス(エタンアミン)N,N′′-[エチレンビス(イミノエチレン)]ビス(エチレンジアミン)N,N′-ビス[2-(2-アミノエチルアミノ)エチル]エタン-1,2-ジアミンPENTAETHYLENEHEXAMINbis(N2-(2-aminoethyl)PentaethylenehexamidePentaethylenehexaMine PENTAETHYLENEHEXAMINE, TECH.Pentaethylenehexamine mixturePentaethylenehexamine (so called)PENTAETHYLENEHEXAMINE FOR SYNTHESIS

N1,N1'-(Ethane-1,2-diyl)bis(N2-(2-aminoethyl)ethane-1,2-diamine)CCRIS 6264UNII-9K5VZU43LEEINECS 223-775-9BRN 1768042N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamineEC 223-775-94-04-00-01245 (Beilstein Handbook Reference)

データベース識別子

CAS: 4067-16-7
PubChem CID: 19990
DTXSID: DTXSID7025843
ChEMBL: CHEMBL65184
UNII: 9K5VZU43LE
EC Number: 223-775-9
Nikkaji: J13.726J

物性

構造計算による物性

XLogP: -3.4
極性表面積: 100 Å²
水素結合供与体数: 6
水素結合受容体数: 6
回転可能結合数: 13
重原子数: 16
形式電荷: 0
複雑度: 108

実験および物理化学的性質

Density1 at 68 °F (USCG, 1999)

Solubilitygreater than or equal to 100 mg/mL at 70 °F (NTP, 1992)

Flash Pointgreater than 200 °F (NTP, 1992)

Boiling Point662 to 734 °F at 760 mmHg (USCG, 1999)

Physical Description · 2 件

Yellowish liquid with an odor of ammonia. (USCG, 1999)

Liquid

Collision Cross Section160.3 Å² [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7025843]

物理化学的性質

融点: -35 °C · -35 °C
沸点: 380 °C · 380 °C
比重(密度): 0.95 g/mL · 0.95 g/mL at 25 °C (lit.)
蒸気圧: 1 hPa · <1 hPa (20 °C)
屈折率: 20 · n20/D 1.5096(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: 20 ℃で可溶500g/L · 水：20℃で可溶500g/L
外見: 液体
酸解離定数(Pka): 10.07 · 10.07±0.19(Predicted)
色: クリアイエロー
PH: 11 · 11 (10g/l, H2O)
水溶解度: 500 g/L · water: soluble 500g/L at20°C
BRN: 1768042 · 1768042
安定性: 安定。強酸化剤、強酸とは相容れない。
InChI: 1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2
InChIKey: LSHROXHEILXKHM-UHFFFAOYSA-N
SMILES: N(CCNCCNCCN)CCNCCN
CAS データベース: 4067 · 4067-16-7(CAS DataBase Reference)
EPAの化学物質情報: Pentaethylenehexamine (4067-16-7)

化学的性質

化学的特性dark yellow-green liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

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

P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Danger

H302 (63.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 3 件

Chemical: 3,6,9,12-Tetraazatetradecane-1,14-diamine

3,6,9,12-Tetraazatetradecane-1,14-diamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3,6,9,12-Tetraazatetradecane-1,14-diamine 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)

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

DOT LabelCorrosive

Fire HazardsSpecial Hazards of Combustion Products: Irritating vapors and toxic gases, such as amine vapors, nitrogen oxides, and carbon monoxide, may be formed when involved in fire.

Health Hazards · 1 件

Contact with eyes can cause slight to moderate irritation and possible burns. May cause transient fogging of the eyes as a result of corneal edema, which is reversible. May cause moderate skin irritation or allergic skin reaction with symptoms of redness, itching, swelling, or rash. Vapors may irritate the eyes, nose, throat, and respiratory tract. May cause coughing, headache, nausea and vomiting. If swallowed, may cause nausea, vomiting and abdominal pain. May cause burns of the mouth, throat, esophagus, and stomach. (USCG, 1999)

Reactive GroupAmines, Phosphines, and Pyridines

Reactivity Profile · 1 件

PENTAETHYLENEHEXAMINE 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.

安全と保護具

Fire FightingFire Extinguishing Agents Not to Be Used: Do not use water.

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 spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper and any clothing which may have been contaminated in a vapor-tight plastic bag for eventual disposal. Wash contaminated surfaces 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)Wear chemical protective gloves. Wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999)

安全データ

wgk: 2
tsca: TSCA listed
rtecs: RZ2680000
ridadr: UN 2735 8/PG 3
毒性: LD50 orl-rat: 1600 mg/kg 37ASAA 7,580,79
hs_code: 29211999
risk_code: 34-43-50/53-21/22
化審法: (2)-164
消防法: 危-4-3-III
hazard_code: C,N
safety_code: 26-36/37/39-45-60-61
hazard_class: 8
packing_group: III
自然発火温度: 360 °C
Hazard Classifications: Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1BSkin Sens. 1
ストレージクラス: 8A - Combustible, corrosive hazardous materials

化学と産業

用途と製造

U.S. Production2023: 2,500,000 - <4,000,000 lb

Industry UsesFuel agents

General Manufacturing Information · 2 件

Asphalt Paving, Roofing, and Coating Materials Manufacturing

3,6,9,12-Tetraazatetradecane-1,14-diamine: ACTIVE

応用分野 · 3 件

用途繊維処理剤,キレート剤,界面活性剤

使用5.Pentaethylenehexamine has been used in the preparation of:polyisobutylene succinimide (PIBSI) dispersants, used as engine oil-additivespoly(glycidyl methacrylate) (P(GMA)) homopolymerspoly(amidoamine)s

一般的な説明Yellowish liquid with an odor of ammonia.

調製方法 · 1 件

純化方法Fractionally distil it twice at 10-20mm, the fraction boiling at 220-250o being collected. It can be further purified via the hydrochloride. Its solution in MeOH (40mL of base in 250mL) is cooled in an ice-bath and conc HCl (~50mL) is added dropwise with stirring. The precipitated hydrochloride is filtered off, washed with Me2CO, and Et2O, then dried in a vacuum desiccator. The free base is then obtained by basification, extraction into Et2O, drying (NaOH), filtering, evaporating and distilling the residue as before. It forms a Cu complex [Cu(C10H28N6)]2+. [Jonassen et al. J Am Chem Soc 79 4279 1957, Beilstein 4 IV 1245.]

サプライヤー50 社

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阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

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南通润丰石油化工有限公司66017690 19952660367 · [email protected]

ペンタエチレンヘキサミン

基本情報

概要