Trihexylamine (HCID 66022)

Names & identifiers

Preferred name: Trihexylamine
IUPAC: N,N-dihexylhexan-1-amine
English name: TRI-N-HEXYLAMINE
Molecular formula: C18H39N
Molecular weight: 269.51

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 7.3
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 15
Heavy atoms: 19
Formal charge: 0
Complexity: 127

Experimental & physicochemical properties

Physical DescriptionLiquid; [Alfa Aesar MSDS]

Kovats Retention Index · 2 items

1740；1730

1741

Physicochemical properties

Melting point: -75 °C · <-75°C
Boiling point: 150 · 150-159 °C/12 mmHg (lit.) 263-265 °C (lit.)
Density: 0.794 g/mL · 0.794 g/mL at 25 °C (lit.)
vapor density: 9.3 · 9.3 (vs air)
vapor pressure: 1 mm · <1 mm Hg ( 20 °C)
refractive index: 20 · n20/D 1.442(lit.)
Flash point: 230 °F · >230 °F
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 10.46 · 10.46±0.50(Predicted)
form: Liquid
color: Colorless to Almost colorless
Water Solubility: 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 DataBase Reference: 102 · 102-86-3(CAS DataBase Reference)
FDA UNII: 9392 WA249 · A9392WA249
EPA Substance Registry System: 1 · 1-Hexanamine, N,N-dihexyl- (102-86-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335-H411
Precautionary statements: 273 · P273-P301+P312+P330-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,N
Risk Statements: 22 · 22-36/37/38-51/53
Safety Statements: 26 · 26-36-61
RIDADR: 3082 · UN 3082 9/PG 3
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 9 · 9
PackingGroup: III
HS Code: 29211990 · 29211990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 2 items

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%)

Regulatory information

Regulatory Information · 2 items

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

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
hs_code: 29211990
risk_code: 22-36/37/38-51/53
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xn,N
safety_code: 26-36-61
hazard_class: 9
Storage Class: 10 - Combustible liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335-H411
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P273-P301+P312+P330-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

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

Applications · 1 item

UsesTri-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.