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Butanoic acid,2-ethyl-2-hydroxy-

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Name

Butanoic acid,2-ethyl-2-hydroxy-

EINECS 222-867-6
CAS No. 3639-21-2 Density 1.103 g/cm3
PSA 57.53000 LogP 0.62210
Solubility N/A Melting Point 78-82 °C
Formula C6H12O3 Boiling Point 251.3 °C at 760 mmHg
Molecular Weight 132.159 Flash Point 120.1 °C
Transport Information N/A Appearance White crystalline powder or needles
Safety 24/25-37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3639-21-2 (2-ETHYL-2-HYDROXYBUTYRIC ACID) Hazard Symbols IrritantXi
Synonyms

2-Hydroxy-2-ethylbutanoic acid;2-Ethyl-2-hydroxybutanoic acid;

Article Data 19

Butanoic acid,2-ethyl-2-hydroxy- Specification

The Butanoic acid,2-ethyl-2-hydroxy-, with the CAS registry number of 3639-21-2, is also known as 2-Hydroxy-2-ethylbutanoic acid. It belongs to the product categories of C6; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 222-867-6. The molecular formula of this chemical is C6H12O3 and its molecular weight is 132.16. What's more, its IUPAC name is 2-Ethyl-2-hydroxybutanoic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Butanoic acid,2-ethyl-2-hydroxy- are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.16; (4)ACD/LogD (pH 7.4): -2.75; (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; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 32.91 cm3; (15)Molar Volume: 119.7 cm3; (16)Polarizability: 13.04×10-24 cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.103 g/cm3; (19)Flash Point: 120.1 °C; (20)Enthalpy of Vaporization: 56.77 kJ/mol; (21)Boiling Point: 251.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00324 mmHg at 25 °C.

Uses of Butanoic acid,2-ethyl-2-hydroxy-: it is used to produce other chemicals. For example, it is used to produce Pentan-3-one. The reaction needs reagent Chromic acid.

Butanoic acid,2-ethyl-2-hydroxy- can be used to produce Pentan-3-one.

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. Hence, avoid contact with skin and eyes. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves and eye/face protection. 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: O=C(O)C(O)(CC)CC
(2) InChI: InChI=1/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
(3) InChIKey: LXVSANCQXSSLPA-UHFFFAOYAC

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