Grundinformationen
- 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
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
4067-16-7- PubChem CID
- 19990
- DTXSID
DTXSID7025843- ChEMBL
CHEMBL65184- UNII
- 9K5VZU43LE
- EC Number
- 223-775-9
- Nikkaji
- J13.726J
Eigenschaften
Berechnete Struktureigenschaften
- 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
Physical Description
Yellowish liquid with an odor of ammonia. (USCG, 1999)
Liquid
Physikochemische Eigenschaften
- Schmelzpunkt
- -35 °C · -35 °C
- 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)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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
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
Health Hazards
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)
Reactivity Profile
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.
Hazard Classes and Categories
Acute Tox. 4 (63.8%)
Skin corrosion - category 1B
Acute toxicity (Oral) - Category 4
Skin Corr. 1B
Sicherheit und Schutzausrüstung
First Aid
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
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.
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
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
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
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