2-Pentenoic acid, 2-methyl-

Base Information

• Chemical Name: 2-Pentenoic acid, 2-methyl-
• CAS No.: 3142-72-1
• Molecular Formula: C6H10O2
• Molecular Weight: 114.144
• Hs Code.: 29161900
• European Community (EC) Number: 221-552-0
• DSSTox Substance ID: DTXSID0051998
• Wikidata: Q72494448
• Mol file: 3142-72-1.mol

Synonyms:3142-72-1;2-methylpent-2-enoic acid;2-Pentenoic acid, 2-methyl-;Pentenoic acid, 2-methyl-;2 - methylpent - 2 - en - 1 - oic acid;methylpent-2-enoic acid;2-methyl-pent-2-enoic acid;DTXSID0051998;2-METHYL-2-PENTENOIC ACID BRI;FT-0608332;FT-0658729;FT-0700012

Chemical Property of 2-Pentenoic acid, 2-methyl-

Chemical Property:

• Appearance/Colour: white semi-transparent crystalline
• Vapor Pressure: 0.0554mmHg at 25°C
• Melting Point: 26-28 °C(lit.)
• Refractive Index: n20/D 1.46(lit.)
• Boiling Point: 215.9 °C at 760 mmHg
• PKA: 5.00±0.19(Predicted)
• Flash Point: 113.9 °C
• PSA: 37.30000
• Density: 0.987 g/cm³
• LogP: 1.42730
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-2-pentenoic Acid >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-22-41
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC=C(C)C(=O)O
• Description: May be prepared by distillation of 2-hydroxy-2-methylvaleric acid (m-form).
• Uses: 2-Methyl-2-pentenoic Acid (CAS# 3142-72-1) can be used for cleansing and refreshing hair and scalp. It can also be used to store and cure food products, and for providing a long-lasting strawberry odor.

Technology Process of 2-Pentenoic acid, 2-methyl-

There total 12 articles about 2-Pentenoic acid, 2-methyl- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

penta-1,3-diene (504-60-9,17410-45-6,25212-15-1,64940-84-7) + carbon monoxide (201230-82-2) → 2-methyl-2-pentenoic acid (3142-72-1)

Guidance literature:

With C₆₉H₅₀P₂; In water; at 100 ℃; Reagent/catalyst; Autoclave;

Reference yield: 92.0%

2-methyl-2-pentenonitrile (99839-14-2) → 2-methyl-2-pentenoic acid (3142-72-1)

Guidance literature:

With phosphoric acid; at 100 ℃; for 8h;

Reference yield: 89.0%

2-methyl-pent-2-en-1-ol (1610-29-3) → 2-methyl-2-pentenoic acid (3142-72-1)

Guidance literature:

With sodium tetrahydroborate; 1% Pd/C; water; potassium hydroxide; In methanol; at 20 ℃; for 7h; chemoselective reaction; In air;

DOI:10.1055/s-0029-1217115

upstream raw materials:

2-methyl-2-pentenal

2-methyl-pent-3-enoic acid

(1-Methoxy-propyl)-methyl-malonester

ethyl 2-methyl-2-pentenoate

Downstream raw materials:

2-Methylpentanoic acid

2-methylpent-2-enoic acid

2-methylpent-2-enoyl chloride

3,5-dimethylfuran-2(5H)-one

Refernces

• 1、 Knaus, Tanja,Tseliou, Vasilis,Humphreys, Luke D.,Scrutton, Nigel S.,Mutti, Francesco G.. "A biocatalytic method for the chemoselective aerobic oxidation of aldehydes to carboxylic acids". supporting information. p. 3931 - 3943. Retrieved 2018/09/11.
• 2、 An, Gwangil,Ahn, Hyunseok,De Castro, Kathlia A.,Rhee, Hakjune. "Pd/C and NaBH4 in basic aqueous alcohol: An efficient system for an environmentally benign oxidation of alcohols". experimental part. p. 477 - 485. Retrieved 2010/06/13.