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3142-72-1

Basic Information
CAS No.: 3142-72-1
Name: 2-Methyl-2-pentenoic acid
Molecular Structure:
Molecular Structure of 3142-72-1 (2-Methyl-2-pentenoic acid)
Formula: C6H10O2
Molecular Weight: 114.14
Synonyms: (E)-2-methylpent-2-enoate;2-Pentenoic acid, 2-methyl-;(E)-2-methylpent-2-enoic acid;2-Methylpent-2-en-1-oic acid;FEMA No. 3195;2-Methyl 2-Pentenoic Acid, Natural;
EINECS: 221-552-0
Density: 0.987 g/cm3
Melting Point: 26-28 °C(lit.)
Boiling Point: 215.9 °C at 760 mmHg
Flash Point: 113.9 °C
Solubility:
Appearance: white semi-transparent crystalline
Hazard Symbols: CorrosiveC
Risk Codes: 34-22
Safety: 26-36/37/39-45
Transport Information: UN 3261 8/PG 3
PSA: 37.30000
LogP: 1.42730
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    2-Methyl-2-pentenoic acid

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Specification

The CAS register number of 2-Methyl-2-pentenoic acid is 3142-72-1. It also can be called as trans-2-Methyl-2-pentenoic acid and the IUPAC name about this chemical is (E)-2-methylpent-2-enoic acid. The molecular formula about this chemical is C6H10O2 and the molecular weight is 114.14. It belongs to the Acids and Esters.

Physical properties about 2-Methyl-2-pentenoic acid are: (1)ACD/LogP: 1.89; (2)ACD/BCF (pH 5.5): 3.85; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 60.96; (5)ACD/KOC (pH 7.4): 1.05; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 26.3Å2; (10)Index of Refraction: 1.454; (11)Molar Refractivity: 31.31 cm3; (12)Molar Volume: 115.6 cm3; (13)Polarizability: 12.41x10-24cm3; (14)Surface Tension: 32.4 dyne/cm; (15)Enthalpy of Vaporization: 49.83 kJ/mol; (16)Boiling Point: 215.9 °C at 760 mmHg; (17)Vapour Pressure: 0.0554 mmHg at 25°C .

Preparation: this chemical can be prepared by isobutyraldehyde  and malonic acid. This reaction will need reagent quinoline.

Uses of 2-Methyl-2-pentenoic acid: it can be used to produce 3-carboxymethylsulfanyl-4-methyl-pentanoic acid with mercaptoacetic acid. The yield is about 65%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It can cause burns. When you are 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. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)/C(=C/CC)C
(2)InChI: InChI=1/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+
(3)InChIKey: JJYWRQLLQAKNAD-SNAWJCMRBE
(4)Std. InChI: InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h4H,3H2,1-2H3,(H,7,8)/b5-4+
(5)Std. InChIKey: JJYWRQLLQAKNAD-SNAWJCMRSA-N