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2-Methyl-2-pentenoic acid

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Name

2-Methyl-2-pentenoic acid

EINECS 221-552-0
CAS No. 3142-72-1 Density 0.987 g/cm3
PSA 37.30000 LogP 1.42730
Solubility N/A Melting Point 26-28 °C(lit.)
Formula C6H10O2 Boiling Point 215.9 °C at 760 mmHg
Molecular Weight 114.144 Flash Point 113.9 °C
Transport Information UN 3261 8/PG 3 Appearance white semi-transparent crystalline
Safety 26-36/37/39-45 Risk Codes 34-22
Molecular Structure Molecular Structure of 3142-72-1 (2-Methyl-2-pentenoic acid) Hazard Symbols CorrosiveC
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;

Article Data 18

2-Methyl-2-pentenoic acid 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

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