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2-Butylaminoethanol

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Name

2-Butylaminoethanol

EINECS 203-904-5
CAS No. 111-75-1 Density 0.875 g/cm3
PSA 32.26000 LogP 0.75930
Solubility 1000g/L at 20℃ Melting Point 28.94°C (estimate)
Formula C6H15NO Boiling Point 199.1 °C at 760 mmHg
Molecular Weight 117.191 Flash Point 79.3 °C
Transport Information UN 2735 8/PG 2 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 22-34
Molecular Structure Molecular Structure of 111-75-1 (2-(BUTYLAMINO)ETHANOL) Hazard Symbols CorrosiveC
Synonyms

2-(Butylamino)ethanol;2-(N-Monobutylamino)ethanol;2-(n-Butylamino)ethanol;2-Hydroxyethyl(butyl)amine;Butyl(2-hydroxyethyl)amine;Butylethanolamine;MBM;N-Butyl-N-(2-hydroxyethyl)amine;N-Butylethanolamine;NSC 1098;Synergex;

Article Data 17

2-Butylaminoethanol Synthetic route

75-21-8

oxirane

109-73-9

N-butylamine

111-75-1

2-butylamino-ethanol

Conditions
ConditionsYield
In ethanol; water at 30 - 40℃;78%
With water
1630-71-3

2-isobutyl-3-butyloxazolidine

A

123-51-3

i-Amyl alcohol

B

111-75-1

2-butylamino-ethanol

C

91322-90-6

1-butyl-3-isopropylpyrrole

Conditions
ConditionsYield
With potassium hydroxide Reflux;A n/a
B n/a
C 73%
51370-34-4

4-Butyl-1-oxa-4-aza-spiro[4.5]decane

A

51265-35-1

1-butyl-4,5,6,7-tetrahydro-1H-indole

B

111-75-1

2-butylamino-ethanol

C

108-93-0

cyclohexanol

Conditions
ConditionsYield
With potassium hydroxide Heating; CH3ONa as reagent;A 62%
B n/a
C n/a
109-65-9

1-bromo-butane

141-43-5

ethanolamine

111-75-1

2-butylamino-ethanol

Conditions
ConditionsYield
at 50 - 60℃;
at 50 - 60℃;
141-43-5

ethanolamine

123-72-8

butyraldehyde

111-75-1

2-butylamino-ethanol

Conditions
ConditionsYield
With ethanol; platinum Hydrogenation;
109-73-9

N-butylamine

107-07-3

2-chloro-ethanol

111-75-1

2-butylamino-ethanol

1-Butyltriazoline

A

1120-85-0

N-butylaziridine

B

111-75-1

2-butylamino-ethanol

C

75-07-0

acetaldehyde

D

109-73-9

N-butylamine

Conditions
ConditionsYield
With water at 25℃; Rate constant; Mechanism; pH 10.75 (lysine buffer); H/D isotope effect;
64-17-5

ethanol

141-43-5

ethanolamine

123-72-8

butyraldehyde

platinum oxide

platinum oxide

111-75-1

2-butylamino-ethanol

Conditions
ConditionsYield
Hydrogenation;
N-<2-hydroxy-ethyl>-N-butyl-aniline

N-<2-hydroxy-ethyl>-N-butyl-aniline

111-75-1

2-butylamino-ethanol

Conditions
ConditionsYield
With sodium nitrite und Zersetzung des Reaktionsprodukts mit konz.NaOH;
With sodium nitrite und Zersetzung des Reaktionsprodukts mit konz.NaOH;
102-79-4

n-butyldiethanolamine

7664-41-7

ammonia

hydrogen

hydrogen

Raney nickel

Raney nickel

A

5610-49-1

N-butylpiperazine

B

111-75-1

2-butylamino-ethanol

C

30935-67-2

N-(2-aminoethyl)-N-butyl-1,2-ethanediamine

Conditions
ConditionsYield
at 200℃; under 51485.6 Torr;

2-Butylaminoethanol Consensus Reports

Reported in EPA TSCA Inventory.

2-Butylaminoethanol Specification

The 2-Butylaminoethanol with CAS registry number of 111-75-1 is also known as 2-(N-Monobutylamino)ethanol. The IUPAC name and product name are the same. Its EINECS registry number is 203-904-5. In addition, the formula is C6H15NO and the molecular weight is 117.19.

Physical properties about 2-Butylaminoethanol are: (1)ACD/LogP: 0.63; (2)ACD/LogD (pH 5.5): -2.46; (3)ACD/LogD (pH 7.4): -1.85; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.435; (12)Molar Refractivity: 34.97 cm3; (13)Molar Volume: 133.8 cm3; (14)Surface Tension: 30.8 dyne/cm; (15)Density: 0.875 g/cm3; (16)Flash Point: 79.3 °C; (17)Enthalpy of Vaporization: 50.64 kJ/mol; (18)Boiling Point: 199.1 °C at 760 mmHg; (19)Vapour Pressure: 0.0875 mmHg at 25 °C.

Preparation of 2-Butylaminoethanol: it is prepared by reaction of oxirane with butylamine. The reaction needs solvent ethanol, H2O at the temperature of 30-40 °C. The yield is about 78%.

2-Butylaminoethanol is prepared by reaction of oxirane with butylamine.

Uses of 2-Butylaminoethanol: it is used to produce 1-triethylsilyloxy-2-(butylamino)ethane by reaction with triethylsilane. The reaction occurs with reagent Ni at 130 °C for 2 hours. The yield is about 93%.

2-Butylaminoethanol is used to produce 1-triethylsilyloxy-2-(butylamino)ethane by reaction with triethylsilane.

When you are using this chemical, please be cautious about it. As a chemical, it is harmful if swallowed and may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCCCNCCO
2. InChI: InChI=1S/C6H15NO/c1-2-3-4-7-5-6-8/h7-8H,2-6H2,1H3
3. InChIKey: LJDSTRZHPWMDPG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 7100mg/kg (7100mg/kg) CARDIAC: CHANGE IN RATE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Toxicology and Applied Pharmacology. Vol. 8, Pg. 344, 1966.
rat LD50 intraperitoneal 840mg/kg (840mg/kg)   Toxicology and Applied Pharmacology. Vol. 12, Pg. 486, 1968.
rat LD50 oral 1150mg/kg (1150mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

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