Trihexylamine (HCID 66022)

Namen und Bezeichner

Bevorzugter Name: Trihexylamine
IUPAC: N,N-dihexylhexan-1-amine
Lokaler Name: Trihexylamin
Englischer Name: TRI-N-HEXYLAMINE
Summenformel: C18H39N
Molmasse: 269.51

Namen und Synonyme

TrihexylamineTri-n-hexylamine1-Hexanamine, N,N-dihexyl-N,N-dihexylhexan-1-amineN,N-Dihexyl-1-hexanamineAMINE,TRIHEXYLUNII-A9392WA249EINECS 203-062-9A9392WA249NSC 409786NSC-409786AI3-16575

Weitere Namen anzeigen

N-TRIHEXYLAMINETrihexylamine,98%TrihexylaMine 96%Trihexylamine >Tri(hex-1-yl)amineTri-n-hexylamineHPLCn,n-dihexyl-1-hexanamin

DTXSID80592631Hexanamine, N,NdihexylRefChem:191671DTXCID1032692203-062-9DIAIBWNEUYXDNL-UHFFFAOYSA-NInChI=1/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H102-86-3

Datenbank-Bezeichner

CAS: 102-86-3、68038-01-7
PubChem CID: 66022
UNII: A9392WA249
EC Number: 203-062-9
Nikkaji: J121.782H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 7,3
Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 15
Schwere Atome: 19
Formalladung: 0
Komplexität: 127

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid; [Alfa Aesar MSDS]

Kovats Retention Index · 2 Einträge

1740；1730

1741

Physikochemische Eigenschaften

Schmelzpunkt: -75 °C · <-75°C
Siedepunkt: 150 · 150-159 °C/12 mmHg (lit.) 263-265 °C (lit.)
Dichte: 0.794 g/mL · 0.794 g/mL at 25 °C (lit.)
Dampfdichte: 9.3 · 9.3 (vs air)
Dampfdruck: 1 mm · <1 mm Hg ( 20 °C)
Brechungsindex: 20 · n20/D 1.442(lit.)
Flammpunkt: 230 °F · >230 °F
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 10.46 · 10.46±0.50(Predicted)
Aggregatzustand: Liquid
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: Slightly miscible with water.
BRN: 1755828 · 1755828
InChI: 1S/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
InChIKey: DIAIBWNEUYXDNL-UHFFFAOYSA-N
SMILES: CCCCCCN(CCCCCC)CCCCCC
LogP: 4.47 at · 4.47 at 25℃ and pH8-9
CAS Datenbank: 102 · 102-86-3(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1-Hexanamine, N,N-dihexyl- (102-86-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (70.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (99.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (26%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (70.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (70.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]；H411 (29.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 154 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

1-Hexanamine, N,N-dihexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexanamine, N,N-dihexyl- 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: 25-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25871

Hazards SummaryAn irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1B (70.1%)；Eye Irrit. 2 (99.4%)；STOT SE 3 (26%)；Aquatic Acute 1 (70.1%)；Aquatic Chronic 1 (70.1%)；Aquatic Chronic 2 (29.9%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

1-Hexanamine, N,N-dihexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Hexanamine, N,N-dihexyl- 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: 25-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25871

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
hs_code: 29211990
risk_code: 22-36/37/38-51/53
hazard_code: Xn,N
safety_code: 26-36-61
hazard_class: 9
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb；2022: <50,000 lb；2021: 50,000 - <250,000 lb；2020: 50,000 - <250,000 lb

General Manufacturing Information1-Hexanamine, N,N-dihexyl-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenTri-n-hexylamine is used as an extractant during isolation and purification of succinic acid from an escherichia coli fermentation broth in pharmaceutical industry. It is also used as an internal standard in screening of human hair specimens for designer drugs by ion mobility spectrometry. Further, it is involved in the synthesis of zinc oxide nanorods. In addition to this, it is used in the preparation of infrared luminescence nanohybrid films.