Hexa-2,4-dien-1-ol

Base Information

• Chemical Name: Hexa-2,4-dien-1-ol
• CAS No.: 111-28-4
• Molecular Formula: C6H10 O
• Molecular Weight: 98.1448
• Hs Code.: 2905290000
• DSSTox Substance ID: DTXSID8047632
• Wikidata: Q97836787
• Mol file: 111-28-4.mol

Synonyms:hexa-2,4-diene-1-ol;DTXSID8047632;FT-0610228;FT-0637497

Chemical Property of Hexa-2,4-dien-1-ol

Chemical Property:

• Appearance/Colour: colorless solid
• Vapor Pressure: 0.281mmHg at 25°C
• Melting Point: 28-33 °C(lit.)
• Refractive Index: n20/D 1.5(lit.)
• Boiling Point: 80 °C12 mm Hg(lit.)
• PKA: 14.55±0.10(Predicted)
• Flash Point: 162 °F
• PSA: 20.23000
• Density: 0.871 g/mL at 25 °C(lit.)
• LogP: 1.11100
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 72.2

Purity/Quality:

99% ^*data from raw suppliers

2,4-Hexadien-1-ol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 21/22-38-41
• Safety Statements: 26-36-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC=CCO
• Uses: 2,4-Hexadien-1-ol is used in preparation of Photocurable Polyurethane coating with leather texture for textiles. Odorant in perfumery.

Technology Process of Hexa-2,4-dien-1-ol

There total 35 articles about Hexa-2,4-dien-1-ol 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: 86.0%

2,4-hexadienal (80466-34-8,4488-48-6) → 2,4-hexadiene-1-ol (111-28-4)

Guidance literature:

With C₅₅H₄₄O₂P₄Ru; hydrogen; In toluene; at 60 ℃; under 38002.6 Torr; Glovebox; Autoclave;

Reference yield: 75.0%

(1R,4S)-(4-hydroxymethylcyclobut-2-enyl)methanol (77774-01-7,446840-28-4) → 2,4-hexadiene-1-ol (111-28-4) + (1α,2α,5α)-3-oxabicyclo<3.2.0>hept-6-en-2-ol (102299-09-2)

Guidance literature:

With dipyridinium dichromate; oxalic acid; In dichloromethane; for 4h; Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

DOI:10.1016/S0040-4020(01)89013-X

Reference yield:

(E)-1,3-dihydroxyhex-4-ene (124781-37-9) → 6-methyl-3,6-dihydro-2H-pyran (55230-25-6) + 2,4-hexadiene-1-ol (111-28-4) + 1,3,5-hexatriene (2235-12-3)

Guidance literature:

With KF-70; at 150 ℃; Yield given. Yields of byproduct given;

DOI:10.1007/BF00950020

upstream raw materials:

sorbic Acid

trans,trans-2,4-Hexadienal

2,4-hexadienyl chloride

5-chloro-hexa-1,3t-diene

Downstream raw materials:

(E)-hex-4-en-1-ol

3-hexen-1-ol

2,4-hexadienyl chloride

5-chloro-hexa-1,3t-diene

Refernces

• 1、 Safarov, M. G.,Bikkulov, R. M.,Safarova, V. G.,Rafikov, S. R.. "CATALYTIC DEHYDRATION OF 4-HEXENE-1,3-DIOL TO 1,3,5-HEXATRIENE". . p. 789 - 791. Retrieved 1982.
• 2、 Tan, Xuefeng,Zeng, Weijun,Zhang, Xiaoyong,Chung, Lung Wa,Zhang, Xumu. "Development of a novel secondary phosphine oxide-ruthenium(II) catalyst and its application for carbonyl reduction". supporting information. p. 535 - 538. Retrieved 2018/01/19.
• 3、 Font, Rafael,Aracil, Ignacio,Fullana, Andrés,Conesa, Juan A.. "Semivolatile and volatile compounds in combustion of polyethylene". . p. 615 - 627. Retrieved 2007/10/03.