Basic information
- Standard SMILES
CCCCCCNCCCCCC- InChIKey
PXSXRABJBXYMFT-UHFFFAOYSA-N- Molecular formula
- C12H27N
- Average molar mass
- 185.35 g/mol
- Monoisotopic mass
- 185.21434986
Overview
Dihexylamine is a clear colorless liquid. (NTP, 1992)
Names & identifiers
- Preferred name
- Dihexylamine
- IUPAC
- N-hexylhexan-1-amine
- English name
- Di-n-hexylamine
- Molecular formula
- C12H27N
- Molecular weight
- 185.35
Names & synonyms
Show more names
Database identifiers
- CAS
143-16-8- PubChem CID
- 8920
- DTXSID
DTXSID1022009- ChEMBL
CHEMBL3188279- UNII
- K37ADA14ZV
- EC Number
- 205-588-4
- Nikkaji
- J27.960I
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 71.2
Experimental & physicochemical properties
Chemical Classes
Nitrogen Compounds -> Amines, Aliphatic
Flammable agents - 3rd degree
Physical Description
Dihexylamine is a clear colorless liquid. (NTP, 1992)
Colorless liquid; [CAMEO] Clear light yellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 3 °C · 3 °C
- Boiling point
- 192 · 192-195 °C(lit.)
- Density
- 0.795 g/mL · 0.795 g/mL at 25 °C(lit.)
- vapor density
- 6.4 · 6.4 (vs air)
- vapor pressure
- 0.05 hPa · 0.05 hPa (20 °C)
- refractive index
- 20 · n20/D 1.432(lit.)
- Flash point
- 203 °F · 203 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 0.3 g/l · 0.3g/l
- pka
- 1 · pK1:11.0(+1) (25°C)
- form
- Liquid
- color
- Clear colorless
- PH
- 9.9 · 9.9 (0.3g/l, H2O, 25℃)
- explosive limit
- 0.7 · 0.7-5.9%(V)
- Water Solubility
- Miscible with water.
- Merck
- 14 · 14,7650
- BRN
- 1738519 · 1738519
- Henry's Law Constant
- 1.3 · 1.3×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- 1S/C12H27N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3
- InChIKey
- PXSXRABJBXYMFT-UHFFFAOYSA-N
- SMILES
- CCCCCCNCCCCCC
- CAS DataBase Reference
- 143 · 143-16-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 37 ADA14ZV · K37ADA14ZV
- EPA Substance Registry System
- Dihexylamine (143-16-8)
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 300 · H300+H310+H330-H314-H410
- Precautionary statements
- 260 · P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- T
- Risk Statements
- 22 · 22-24-34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2922 · UN 2922 8/PG 2
- WGK Germany
- 2 · 2
- RTECS
- 6600000 · IH6600000
- Autoignition Temperature
- 250 °C · 250 °C
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- I
- HS Code
- 29211990 · 29211990
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 1 DermalAcute · Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1A
- Toxicity
- 50 orally · LD50 orally in Rabbit: 42 mg/kg LD50 dermal Rabbit < 160 mg/kg
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (1 of 151) of reports.
Danger
H300 (72.2%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 151 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Hexanamine, N-hexyl-
Dihexylamine: HSNO Approval: HSR004442 Approved with controls
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazards Summary
A severe eye and mild skin irritant; [RTECS] Readily absorbed through skin; [NTP] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by ingestion; Highly toxic by skin absorption; [Sigma-Aldrich MSDS] See 2-Ethylhexylamine.
Reactivity Profile
DIHEXYLAMINE 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. 2 (72.2%)
Flammable agents - 3rd degree
Safety & protection
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. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing 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.
Toxicology
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- IH6600000
- ridadr
- UN 2922 8/PG 2
- hs_code
- 29211990
- Toxicity
- LD50 orally in Rabbit: 42 mg/kg LD50 dermal Rabbit < 160 mg/kg
- risk_code
- 22-24-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS09
- hazard_code
- T
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- I
- Hazard statements
- H300+H310+H330-H314-H410
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1A
- Autoignition Temperature
- 250 °C
- Precautionary statements
- P260-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
UsesDihexylamine is used in organic syntheses.
UsesDi-n-hexylamine is used in organic synthesis and involved in the preparation of succinic acid.
General DescriptionClear colorless liquid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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