CAS No.104-75-6,2-Ethylhexylamine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	104-75-6
Name:	2-Ethylhexylamine
Article Data:	16

Formula:	C₈H₁₉N
Molecular Weight:	129.246
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:	T
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

Synthetic route

: 104-76-7
2-Ethylhexyl alcohol

: 104-75-6
2-Ethylhexylamine

Conditions

Conditions	Yield
With sodium azide; triphenylphosphine In dichloromethane; N,N-dimethyl-formamide at 90℃; for 5h; Substitution; Mitsunobu reaction; Staudinger reaction;	92%
With Ru(CO)ClH(oxydi-2,1-phenylene)bis(diphenylphosphine)(triphenylphosphine); ammonia In toluene at 170℃; for 48h; Autoclave; Glovebox; Inert atmosphere;	77 %Spectr.

: 645-62-5
2-ethylhexenal

: 104-75-6
2-Ethylhexylamine

Conditions

Conditions	Yield
With ammonia; hydrogen; nickel at 140℃;

: 106-20-7
2-ethyl-N-(2-ethylhexyl)-1-hexanamine

: 104-75-6
2-Ethylhexylamine

Conditions

Conditions	Yield
With 1-hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); ammonia; water In tert-Amyl alcohol; tert-butyl methyl ether at 170℃; for 16h; pressure tube; Inert atmosphere;	70 %Chromat.

: 34612-83-4
2-ethyl-hexanal oxime

: 104-75-6
2-Ethylhexylamine

Conditions

Conditions	Yield
Stage #1: 2-ethyl-hexanal oxime With hydrogenchloride; zinc In ethanol; water at 20℃; for 0.25h; Stage #2: With ammonia; sodium hydroxide In ethanol; water at 20℃; for 0.25h;	5.513 g

: 123-05-7
d,l-2-ethylhexanal

: 104-75-6
2-Ethylhexylamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: hydroxylamine hydrochloride / ethanol / 0.67 h / 20 °C 2.1: hydrogenchloride; zinc / ethanol; water / 0.25 h / 20 °C 2.2: 0.25 h / 20 °C View Scheme

: 104-76-7
2-Ethylhexyl alcohol

A: 104-75-6
2-Ethylhexylamine

B: 106-20-7
2-ethyl-N-(2-ethylhexyl)-1-hexanamine

Conditions

Conditions	Yield
With chlorocyclopentadienylbis(triphenylphosphine)ruthenium(II); urea; diphenylphosphinopropane In diethylene glycol dimethyl ether at 160℃; for 12h; Autoclave; Inert atmosphere;

: 108-31-6
maleic anhydride

: 104-75-6
2-Ethylhexylamine

: 48149-71-9
N-(2-ethylhexyl)maleimide

Conditions

Conditions	Yield
Stage #1: maleic anhydride; 2-Ethylhexylamine In toluene at 80℃; Stage #2: With 1,1,1,3,3,3-hexamethyl-disilazane; zinc dibromide In toluene at 80℃; for 2.5h;	100%
With chloroform Erwaermen des Reaktionsprodukts mit Natriumacetat und Acetanhydrid;

: 104-75-6
2-Ethylhexylamine

: 124-63-0
methanesulfonyl chloride

: 362665-05-2
N-(2-ethyl-hexyl)-methanesulfonamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0℃; for 1h;	100%

: 104-75-6
2-Ethylhexylamine

: 128-69-8
perylene-3,4,9,10-tetracarboxylic acid 3,4:9,10-dianhydride

: 82531-03-1
2,9-bis(2-ethylhexyl)anthra[2,1,9-def:6,5,10-d',e',f']diisoquinoline-1,3,8,10(2H,9H)-tetraone

Conditions

Conditions	Yield
With 1H-imidazole; zinc diacetate at 160℃; for 5h; Inert atmosphere;	99%
With 1H-imidazole	98%
In N,N-dimethyl-formamide for 8h; Inert atmosphere; Reflux;	97%

: 104-75-6
2-Ethylhexylamine

: N-(2,6-diisopropylphenyl)-1,6-dichloro-7,12-di-(4-tert-butylphenoxy)perylene-3,4,9,10-tetracarboxy monoimide monoanhydride

: N-(2,6-diisopropylphenyl)-N′-(2-ethyl-1hexyl)-1,6-dichloro-7,12-di(4-tert-butylphenoxy)perylene-3,4,9,10-tetracarboxy bisimide

Conditions

Conditions	Yield
In toluene for 16h; Reflux;	99%

Raw Materials

106-20-7

645-62-5

104-76-7

123-05-7

Downstream Products

113-48-4

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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)	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,