CAS No.3639-21-2,2-ETHYL-2-HYDROXYBUTYRIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3639-21-2
Name:	2-ETHYL-2-HYDROXYBUTYRIC ACID
Article Data:	19

Formula:	C₆H₁₂O₃
Molecular Weight:	132.159
Synonyms:	2-Hydroxy-2-ethylbutanoic acid;2-Ethyl-2-hydroxybutanoic acid;
EINECS:	222-867-6
Density:	1.103 g/cm³
Melting Point:	78-82 °C
Boiling Point:	251.3 °C at 760 mmHg
Flash Point:	120.1 °C
Appearance:	White crystalline powder or needles
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25-37/39-26
PSA:	57.53000
LogP:	0.62210

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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