5-Hexen-1-ol

Base Information

• Chemical Name: 5-Hexen-1-ol
• CAS No.: 821-41-0
• Deprecated CAS: 97915-98-5
• Molecular Formula: C6H12O
• Molecular Weight: 100.161
• Hs Code.: 29052290
• European Community (EC) Number: 212-477-4
• UNII: 57PD1RF6G7
• DSSTox Substance ID: DTXSID2074950
• Nikkaji Number: J100.726B
• Wikidata: Q27261513
• Mol file: 821-41-0.mol

Synonyms:5-Hexen-1-ol;821-41-0;Hex-5-en-1-ol;1-Hexen-6-ol;5-Hexenol;5-Hexene-1-ol;MFCD00002981;UNII-57PD1RF6G7;57PD1RF6G7;EINECS 212-477-4;AI3-34797;5-Hexen-1-ol, 98%;5-hexanol;6-hydroxy-1-hexene;hex-1-en-6-ol;5-HEXENOL [FHFI];1-HEXENE-6-OL;SCHEMBL41920;HO(CH2)4CH=CH2;DTXSID2074950;FEMA NO. 4351;BCP03575;BBL102594;STL556397;AKOS009156957;CS-W013711;HY-W012995;BP-31163;MS-20464;SY020861;AM20100796;BB 0262329;FT-0620445;H0653;EN300-98901;A840257;Q-200543;Q27261513

Chemical Property of 5-Hexen-1-ol

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 1.5mmHg at 25°C
• Melting Point: <-20 °C
• Refractive Index: n20/D 1.435(lit.)
• Boiling Point: 149.9 °C at 760 mmHg
• PKA: 15.17±0.10(Predicted)
• Flash Point: 47.2 °C
• PSA: 20.23000
• Density: 0.833 g/cm³
• LogP: 1.33500
• Storage Temp.: Flammables area
• Solubility.: 18.6g/l
• Water Solubility.: Miscible with water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 100.088815002
• Heavy Atom Count: 7
• Complexity: 41.4

Purity/Quality:

98% ^*data from raw suppliers

5-Hexen-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 10
• Safety Statements: 16-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: C=CCCCCO
• Uses: 5-Hexen-1-ol is used in cyclization to a tetrahydropyran by phenylselenoetherification. It is also used as a building block in synthetic chemistry. Further, it is used to prepare 6-bromo-hex-1-ene by reaction with phosphorus tribromide.

Technology Process of 5-Hexen-1-ol

There total 97 articles about 5-Hexen-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: 46.0%

6,8-dioxa-bicyclo[3.2.1]oct-2-ene (27925-22-0) → 5-Hexen-1-ol (821-41-0) + (E)-hex-2-ene-1,6-diol (63974-05-0) + hex-4-en-1-ol (6126-50-7,928-91-6,928-92-7)

Guidance literature:

With lithium aluminium tetrahydride; In 1,2-dimethoxyethane; for 150h; Heating;

Reference yield: 22.0%

1 ,6-dibromohexane (629-03-8) → 1-hexene (592-41-6,25067-06-5) + 5-Hexen-1-ol (821-41-0) + hexane (110-54-3) + 1,5-Hexadien (592-42-7)

Guidance literature:

With tetramethylammonium perchlorate; In water-d2; N,N-dimethyl-formamide; Solvent; Overall yield = 90 %; Electrolysis;

DOI:10.1016/j.electacta.2015.10.164

Reference yield:

C8H19NO2 (98096-52-7) → 5-Hexen-1-ol (821-41-0) + N,N-dimethylhydroxylamine (5725-96-2) + dimethylamino-5 hexanol-1 (90225-61-9) + hex-4-en-1-ol (6126-50-7,928-91-6,928-92-7)

Guidance literature:

Product distribution; Heating;

upstream raw materials:

2-(chloromethyl)tetrahydropyran

1,5-Hexadien

5-hexenyl acetate

trimethylene oxide

Downstream raw materials:

(2-(phenylselanylmethyl)oxane)

5-phenyl-hex-5-en-1-ol

phenyl-6 hexene-5 ol-1 (E)

6-phenylhexanal

Refernces

• 1、 -. "KETONE SYNTHESIS AND APPLICATIONS". Paragraph 00238; 00252. . Retrieved 2022/02/05.
• 2、 Chen, Yifeng,Huang, Wenyi,Qu, Jingping,Shrestha, Mohini,Wang, Yun,Weng, Yangyang. "Nickel-Catalyzed Formal Aminocarbonylation of Unactivated Alkyl Iodides with Isocyanides". supporting information. p. 3245 - 3250. Retrieved 2020/04/21.