2-Hexen-1-OL

Base Information

• Chemical Name: 2-Hexen-1-OL
• CAS No.: 928-95-0
• Deprecated CAS: 114411-82-4
• Molecular Formula: C6H12 O
• Molecular Weight: 100.161
• Hs Code.: 29052900
• European Community (EC) Number: 218-972-1,213-191-2
• NSC Number: 142553
• UNII: BVP79C4821
• DSSTox Substance ID: DTXSID2047062
• Nikkaji Number: J36.843A,J213.178A
• Wikidata: Q1622275
• Metabolomics Workbench ID: 3153
• ChEMBL ID: CHEMBL2228463
• Mol file: 928-95-0.mol

Synonyms:trans-2-Hexen-1-Ol;928-95-0;(E)-Hex-2-en-1-ol;2-HEXEN-1-OL;(E)-2-Hexen-1-ol;trans-2-Hexenol;2-Hexenol;2-Hexen-1-ol, (2E)-;Hex-2-en-1-ol;2305-21-7;3-Propylallyl alcohol;2-Hexen-1-ol, (E)-;trans-Hex-2-en-1-ol;2-Hexen-1-ol, trans-;(E)-2-HEXENOL;2E-hexenol;2-Hexen-1-ol (natural);trans-2-Hexenol (natural);FEMA No. 2562;2-(E)-hexenol;EINECS 213-191-2;EINECS 218-972-1;NSC 142553;BRN 1719709;UNII-BVP79C4821;AI3-34792;DTXSID2047062;BVP79C4821;UNII-4786A28X17;4-01-00-02138 (Beilstein Handbook Reference);fema 2562;2-hexenyl alcohol;MFCD00002927;trans-1-Hydroxy-2-hexene;trans-2-Hexen-1-yl Alcohol;Hex-2(E)-enol;(E)-hex-2-enol;t-2-Hexen-1-ol;trans-2-hexene-1-ol;Nat. Trans-2-Hexenol;E-Hex-2-en-1-ol;(E)-2-Hexene-1-ol;trans- hex-2-en-1-ol;(2E)-2-Hexen-1-ol;SCHEMBL75388;(2E)-hex-2-en-1-ol;METHYLPERFLUOROHEXANOATE;trans-2-Hexen-1-ol, 96%;(2E)-2-Hexen-1-ol #;CHEMBL2228463;DTXCID0027062;CHEBI:141205;CHEBI:144070;hex - 2 - en - 1 - ol;FEMA NO. 2562, E-;Tox21_301839;LMFA05000060;NSC142553;(E)-2-HEXEN-1-OL [FCC];AKOS015856232;CS-W016652;HY-W015936;LS-2801;NSC-142553;trans - hex - 2 - en - 1 - ol;NCGC00256273-01;AS-10647;CAS-928-95-0;LS-75595;trans-2-Hexen-1-ol, natural, 97%, FG;4786A28X17;H0346;trans-2-Hexen-1-ol, >=95%, FCC, FG;EN300-219729;EN300-1692298;A844381;Q1622275

Chemical Property of 2-Hexen-1-OL

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.873mmHg at 25°C
• Melting Point: 54.63°C
• Refractive Index: n20/D 1.438(lit.)
• Boiling Point: 158 - 160 C (61 - 62 C at 12 mm Hg)
• PKA: 14.45±0.10(Predicted)
• Flash Point: 54 ºC
• PSA: 20.23000
• Density: 0.844
• LogP: 1.33500
• Storage Temp.: Flammables area
• Water Solubility.: Slightly soluble in water
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 100.088815002
• Heavy Atom Count: 7
• Complexity: 48.1

Purity/Quality:

99% ^*data from raw suppliers

trans-2-Hexen-1-ol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC=CCO
• Isomeric SMILES: CCC/C=C/CO
• Uses: trans-2-Hexen-1-ol was used to evaluate the quality of protected designation of virgin olive oils by headspace solid-phase microextraction-gas chromatography using flame ionization detection and multivariate analysis. It was also used in encapsulation of vanadium catalysts in inorganic and hybrid matrices using sol-gel method.

Technology Process of 2-Hexen-1-OL

There total 43 articles about 2-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: 97.0%

trans-tert-butyl(hex-2-en-1-yloxy)dimethylsilane (113997-32-3) → (E)-2-Hexen-1-ol (928-95-0)

Guidance literature:

With phosphomolybdic acid hydrate; silica gel; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1021/jo0502697

Reference yield: 93.0%

(E)-2-Hexenal (6728-26-3) → (E)-2-Hexen-1-ol (928-95-0)

Guidance literature:

With bis(cyclopentadienyl)dihydrozirconium; In isopropyl alcohol; at 130 ℃; for 8h;

DOI:10.1021/jo00251a016

Reference yield: 90.5%

hex-2-yn-1-ol (764-60-3) → (E)-2-Hexen-1-ol (928-95-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 5h; Heating;

upstream raw materials:

epoxybutene

diethyl ether

ethylmagnesium bromide

trans-Crotonaldehyde

Downstream raw materials:

2-Hexenyl chloride

trans-5-hydroxymethyl-3-phenyl-4-propyl-4,5-dihydroisoxazole

1-{1-Bromo-2-[((E)-hex-2-enyl)oxy]-ethanesulfonyl}-4-methyl-benzene

<(E)-hex-2-enyl>triphenylphosphonium bromide

Refernces

• 1、 Chen, Manyu,Cui, Kai,Hou, Zhenshan,Peng, Qingpo,Wang, Jiajia,Wei, Xinjia,Zhao, Xiuge. "Cationic Ru complexes anchored on POM via non-covalent interaction towards efficient transfer hydrogenation catalysis". . . Retrieved 2021/12/22.
• 2、 Ariga, Elaine Miho,Carita Correra, Thiago,Matsushima, Jullyane Emi,McIndoe, J. Scott,Moreira Ribeiro, Francisco Wanderson,Omari, Isaac,Papa Spadafora, Bruna,Rodrigues, Alessandro,Soares, Priscila Machado Arruda,Vinhato, Elisangela,de Oliveira-Silva, Diogo. "Regio- And diastereoselective Pd-catalyzed aminochlorocyclization of allylic carbamates: scope, derivatization, and mechanism". supporting information. p. 5595 - 5606. Retrieved 2021/07/02.