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104-75-6

Basic Information
CAS No.: 104-75-6
Name: 1-Hexanamine, 2-ethyl-
Molecular Structure:
Molecular Structure of 104-75-6 (1-Hexanamine, 2-ethyl-)
Formula: C8H19N
Molecular Weight: 129.24
Synonyms: b-Ethylhexylamine;Hexylamine,2-ethyl- (6CI,8CI);1-Amino-2-ethylhexane;2-Ethyl-1-aminohexane;2-Ethyl-1-hexanamine;2-Ethyl-1-hexylamine;
EINECS: 203-233-8
Density: 0.7894 g/cm3
Melting Point: -76 °C
Boiling Point: 167.3 °C at 760 mmHg
Flash Point: 52.2 °C
Solubility: 2.5 g/L (20 ºC)
Appearance: colourless liquid
Hazard Symbols: ToxicT
Risk Codes: 10-21/22-23-34
Safety: 26-36/37/39-45-16
Transport Information: UN 2276 3/PG 3
PSA: 26.02000
LogP: 2.86180
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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification:  8; Label: Corrosive

Specification

The CAS registry number of 2-Ethyl hexylamine is 104-75-6. Its EINECS registry number is 203-233-8. The IUPAC name is 2-ethylhexan-1-amine. In addition, the molecular formula is C8H19N and the molecular weight is 129.24. It is also called 1-amino-2-ethylhexane. What's more, it is a kind of colourless liquid and belongs to the classes of Industrial/Fine Chemicals; Butoctamide; Amines; C8; Nitrogen Compounds. It should be stored in sealed container, and put them in a cool and dry place. 

Physical properties about this chemical are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.08; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 42.6 cm3; (15)Molar Volume: 164.6 cm3; (16)Polarizability: 16.89 ×10-24cm3; (17)Surface Tension: 27.4 dyne/cm; (18)Density: 0.784 g/cm3; (19)Flash Point: 52.2 °C; (20)Enthalpy of Vaporization: 40.38 kJ/mol; (21)Boiling Point: 167.3 °C at 760 mmHg; (22)Vapour Pressure: 1.71 mmHg at 25°C.

Preparation of 2-Ethyl hexylamine: it can be prepared by 2-ethyl-hexan-1-ol. This reaction is a kind of substitution//mitsunobu reaction. It will need reagents sodium azide and Ph3P, and solvents CH2Cl2 and dimethylformamide. The reaction time is 5 hours at reaction temperature of 90 °C. The yield is about 92%.

2-Ethyl hexylamine can be prepared by 2-ethyl-hexan-1-ol

Uses of 2-Ethyl hexylamine: it is used as raw materials for medicine, dyes, pesticides, sulfide accelerators, antioxidants, the flotation agents, emulsifiers, etc. In addition, it can be used to get 2-ethyl-hexanenitrile. This reaction will need reagent O2, catalyst RuHAP and solvent toluene. The reaction time is 24 hours at reaction temperature of 110 °C. The yield is about 99%.

2-Ethyl hexylamine can be used to get 2-ethyl-hexanenitrile

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and can cause burns. And it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show label where possible). What's more, you should keep away from sources of ignition and no smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: NCC(CC)CCCC
(2)InChI: InChI=1/C8H19N/c1-3-5-6-8(4-2)7-9/h8H,3-7,9H2,1-2H3
(3)InChIKey: LTHNHFOGQMKPOV-UHFFFAOYAF

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 600uL/kg (0.6mL/kg)   Union Carbide Data Sheet. Vol. 2/20/1963,
rat LCLo inhalation 125ppm/4H (125ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.
rat LD50 oral 450mg/kg (450mg/kg)   Union Carbide Data Sheet. Vol. 2/20/1963,