Trihexylamine
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Basic information
- CAS
102-86-3- Standard SMILES
CCCCCCN(CCCCCC)CCCCCC- InChIKey
DIAIBWNEUYXDNL-UHFFFAOYSA-N- Molecular formula
- C18H39N
- Average molar mass
- 269.5 g/mol
- Monoisotopic mass
- 269.30825025
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 propertiesFilling in
- XLogP
- 7.3
- Topological polar surface area
- 3.2 Ų
- 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
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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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
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
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
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.
Upstream & downstream products
Downstream products
Related reactions
8 records
Compound notes
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