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2-Butyn-1-ol,4-(diethylamino)-

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Name

2-Butyn-1-ol,4-(diethylamino)-

EINECS 234-163-6
CAS No. 10575-25-4 Density 0.949 g/cm3
PSA 23.47000 LogP 0.32390
Solubility Soluble in chloroform and ethyl acetate. Soluble in water 11 g/L @25°C. Melting Point N/A
Formula C8H15NO Boiling Point 222.4 °C at 760 mmHg
Molecular Weight 141.213 Flash Point 89.7 °C
Transport Information N/A Appearance white solid
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 10575-25-4 (4-DIETHYLAMINO-2-BUTYN-1-OL) Hazard Symbols IrritantXi
Synonyms

1-(Diethylamino)-2-butyn-4-ol;1-(N,N-Diethylamino)-4-hydroxy-2-butyne;4-(Diethylamino)-2-butyn-1-ol;

Article Data 20

2-Butyn-1-ol,4-(diethylamino)- Specification

The 2-Butyn-1-ol, 4-(diethylamino)-, with the CAS registry number 10575-25-4, is also known as 1-(Diethylamino)-2-butyn-4-ol. It belongs to the product categories of Chemical Amines; Acetylenes; Acetylenic Alcohols & Their Derivatives; Amines; Amino Alcohols; Organic Building Blocks; Oxygen Compounds. Its EINECS registry number is 234-163-6. This chemical's molecular formula is C8H15NO and molecular weight is 141.21. What's more, its IUPAC name is 4-(Diethylamino)but-2-yn-1-ol. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about 2-Butyn-1-ol, 4-(diethylamino)- are: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.7; (4)ACD/LogD (pH 7.4): -0.03; (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): 8.25; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 42.37 cm3; (15)Molar Volume: 148.6 cm3; (16)Polarizability: 16.79×10-24 cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Density: 0.949 g/cm3; (19)Flash Point: 89.7 °C; (20)Enthalpy of Vaporization: 53.35 kJ/mol; (21)Boiling Point: 222.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0209 mmHg at 25 °C.

Preparation of 2-Butyn-1-ol, 4-(diethylamino)-: this chemical is prepared by reaction of Prop-2-yn-1-ol, Formaldehyde with Diethylamine. This reaction needs reagents H2SO4 and CuSO4. Meanwhile, it needs solvent H2O. The reaction time is 1 hour with reaction temperature of 80 °C. The yield is about 75 %.

The 2-Butyn-1-ol, 4-(diethylamino)- can be obtained by Prop-2-yn-1-ol, Formaldehyde and Diethylamine.

Uses of 2-Butyn-1-ol, 4-(diethylamino)-: it is used to produce other chemicals. For example, it is used to produce N-Phenyl-carbaminsaeure-(4-diethylamino-but-2-inyl-ester). The reaction time is 3 days with reaction temperature of 18-25 °C. The yield is about 96 %.

2-Butyn-1-ol, 4-(diethylamino)- can react with Isocyanatobenzene to get N-Phenyl-carbaminsaeure-(4-diethylamino-but-2-inyl-ester).

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: C(#CCO)CN(CC)CC
(2) InChI: InChI=1/C8H15NO/c1-3-9(4-2)7-5-6-8-10/h10H,3-4,7-8H2,1-2H3
(3) InChIKey: ACGZBRWTWOZSFU-UHFFFAOYAR

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