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3,6,9,12-Tetraazatetradecamethylendiamin

Pentaethylenehexamine

HCID 19990
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Grundinformationen

CAS
4067-16-7
Standard-SMILES
NCCNCCNCCNCCNCCN
InChIKey
LSHROXHEILXKHM-UHFFFAOYSA-N
Summenformel
C10H28N6
Durchschnittliche Molmasse
232,37 g/mol
Monoisotopische Masse
232,2375449

Überblick

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

Namen und Bezeichner

Bevorzugter Name
Pentaethylenehexamine
IUPAC
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
Lokaler Name
3,6,9,12-Tetraazatetradecamethylendiamin
Englischer Name
PENTAETHYLENEHEXAMINE
Summenformel
C10H28N6
Molmasse
232.37

Namen und Synonyme

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

Datenbank-Bezeichner

CAS
4067-16-7

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
-3,4
Polarare Oberfläche (TPSA)
100 Ų
H-Brücken-Donoren
6
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
13
Schwere Atome
16
Formalladung
0
Komplexität
108

Experimentelle und physikochemische Eigenschaften

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 Einträge

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

Liquid

Collision Cross Section160.3 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7025843]
Autoignition Temperature680 °F (USCG, 1999)

Physikochemische Eigenschaften

Schmelzpunkt
-35 °C · -35 °C

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

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)

Gefahrenhinweise

Regulatory Information · 3 Einträge

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 Eintrag

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)

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 2,500,000 - <4,000,000 lb
Industry UsesFuel agents
General Manufacturing Information · 2 Einträge

Asphalt Paving, Roofing, and Coating Materials Manufacturing

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

Anwendungen

Verwenden5.Pentaethylenehexamine has been used in the preparation of:polyisobutylene succinimide (PIBSI) dispersants, used as engine oil-additivespoly(glycidyl methacrylate) (P(GMA)) homopolymerspoly(amidoamine)s

Zugehörige Reaktionen

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Reaktionsgleichung von HRID 2271268
HRID 2271268als Eduktuspto-grants-2001_12

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PubChem CID
19990
DTXSID
DTXSID7025843
ChEMBL
CHEMBL65184
UNII
9K5VZU43LE
EC Number
223-775-9
Nikkaji
J13.726J
Siedepunkt
380 °C · 380 °C
Dichte
0.95 g/mL · 0.95 g/mL at 25 °C (lit.)
Dampfdruck
1 hPa · <1 hPa (20 °C)
Brechungsindex
20 · n20/D 1.5096(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
30 °C · Store below +30°C.
Löslichkeit
500 g/L · water: soluble500g/L at 20°C
Aggregatzustand
Liquid
pka
10.07 · 10.07±0.19(Predicted)
Farbe
Clear yellow
PH
11 · 11 (10g/l, H2O)
Wasserlöslichkeit
500 g/L · water: soluble 500g/L at20°C
BRN
1768042 · 1768042
Stabilität
Stable. Incompatible with strong oxidizing agents, strong acids.
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 Datenbank
4067 · 4067-16-7(CAS DataBase Reference)
EPA chemische Informationen
Pentaethylenehexamine (4067-16-7)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 Eintrag

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.

Air and Water ReactionsWater soluble.
Hazard Classes and Categories · 4 Einträge

Acute Tox. 4 (63.8%)

Skin corrosion - category 1B

Acute toxicity (Oral) - Category 4

Skin Corr. 1B

Sicherheit und Schutzausrüstung

Fire FightingFire Extinguishing Agents Not to Be Used: Do not use water.
First Aid · 1 Eintrag

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 Eintrag

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)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 2735 8/PG 3
hs_code
29211999
RTECS-Nr.
RZ2680000
risk_code
34-43-50/53-21/22
Toxizität
LD50 orl-rat: 1600 mg/kg 37ASAA 7,580,79
hazard_code
C,N
safety_code
26-36/37/39-45-60-61
hazard_class
8
packing_group
III
Speicherklasse
8A - Combustible, corrosive hazardous materials
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1BSkin Sens. 1
Selbstentzündungstemperatur
360 °C