trans-2-Hepten-1-ol

Base Information

• Chemical Name: trans-2-Hepten-1-ol
• CAS No.: 33467-76-4
• Molecular Formula: C7H14 O
• Molecular Weight: 114.188
• Hs Code.: 2905290000
• European Community (EC) Number: 251-534-8
• NSC Number: 244909
• UNII: Q989YFO10I
• DSSTox Substance ID: DTXSID30879009
• Nikkaji Number: J126.437K,J187.443H
• ChEMBL ID: CHEMBL2228464
• Mol file: 33467-76-4.mol

Synonyms:trans-2-Hepten-1-ol;33467-76-4;(E)-2-Hepten-1-ol;(E)-Hept-2-en-1-ol;2-Hepten-1-ol;2-Hepten-1-ol, (E)-;2-HEPTENOL;2-Hepten-1-ol, (2E)-;22104-77-4;(2E)-2-Hepten-1-ol;UNII-Q989YFO10I;Q989YFO10I;EINECS 251-534-8;NSC 244909;NSC-244909;AI3-36042;trans-2-heptenol;NSC244909;(E)-2-Heptenol;.BETA.-HEPTENOL;trans-hept-2-en-1-ol;(trans)-2-heptene-1-ol;SCHEMBL329735;CHEMBL2228464;DTXSID30879009;N-HEPT-TRANS-2-EN-1-OL;MFCD00014056;AKOS028109463;HY-W127451;AI3-34384;J126.437K;J187.443H;CS-0185682;H0682;J-019200;Q27287134;trans-2-Hepten-1-ol, 96%, remainder mainly cis-isomer

Chemical Property of trans-2-Hepten-1-ol

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.307mmHg at 25°C
• Melting Point: 57°C
• Refractive Index: n20/D 1.442
• Boiling Point: 177.8°Cat760mmHg
• PKA: 14.45±0.10(Predicted)
• Flash Point: 68.5°C
• PSA: 20.23000
• Density: 0.844g/cm³
• LogP: 1.72510
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 57.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

trans-2-Hepten-1-ol >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC=CCO
• Isomeric SMILES: CCCC/C=C/CO

Technology Process of trans-2-Hepten-1-ol

There total 33 articles about trans-2-Hepten-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: 90.0%

hep-2-yn-1-ol (1002-36-4) → (E)-hept-2-en-1-ol (33467-76-4)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; for 2h; Heating;

Reference yield: 90.0%

ethyl (E)-2-heptenoate (54340-72-6) → (E)-hept-2-en-1-ol (33467-76-4)

Guidance literature:

With diisobutylaluminium hydride; In dichloromethane; toluene; at 0 - 20 ℃; for 2.25h;

DOI:10.1002/hlca.201200078

Reference yield: 85.0%

(E)-methyl 2-heptenoate (22104-69-4,66618-64-2,38693-91-3) → (E)-hept-2-en-1-ol (33467-76-4)

Guidance literature:

With aluminum (III) chloride; lithium aluminium tetrahydride; In diethyl ether; at 0 ℃; for 5h;

DOI:10.3184/174751914X13989627250405

upstream raw materials:

hep-2-yn-1-ol

2-benzenesulfinyl-heptan-1-ol

n-butylcopper

2-methyl-4,7-dihydro-1,3-dioxepine

Downstream raw materials:

(E)-1-iodooct-3-ene

(E)-2-Heptenal

(5Z,7E)-5,7-dodecadien-1-ol

3-mercaptoheptyl acetate