trans-2-Octen-1-ol

Base Information

• Chemical Name: trans-2-Octen-1-ol
• CAS No.: 18409-17-1
• Molecular Formula: C8H16 O
• Molecular Weight: 128.214
• Hs Code.: 29052990
• European Community (EC) Number: 242-288-2
• UNII: K54ST7V77U
• DSSTox Substance ID: DTXSID00885036
• Nikkaji Number: J100.636C,J100.637A
• Wikidata: Q27281975
• Metabolomics Workbench ID: 3214
• ChEMBL ID: CHEMBL2228465
• Mol file: 18409-17-1.mol

Synonyms:2-Octen-1-ol,(E)- (8CI); (2E)-Oct-2-en-1-ol; (E)-2-Octen-1-ol; (E)-2-Octenol;n-Oct-trans-2-en-1-ol; trans-2-Octen-1-ol; trans-2-Octenol

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

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 0.107mmHg at 25°C
• Melting Point: -31.5°C (estimate)
• Refractive Index: n20/D 1.4460(lit.)
• Boiling Point: 195.8 °C at 760 mmHg ，85-87 °C10 mm Hg(lit.)
• PKA: 14.49±0.10(Predicted)
• Flash Point: 85 ºC
• PSA: 20.23000
• Density: 0.85
• LogP: 2.11520
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 67

Purity/Quality:

99% ^*data from raw suppliers

trans-2-Octen-1-ol >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-36/38
• Safety Statements: 26-36-36/37-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

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

There total 49 articles about trans-2-Octen-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: 98.0%

2-octyn-1-ol (20739-58-6) → (E)-oct-2-en-1-ol (18409-17-1)

Guidance literature:

With sodium bis(2-methoxyethoxy)aluminium dihydride;

DOI:10.1021/ja971916h

Reference yield: 95.0%

(E)-2-Octenal (2548-87-0) → (E)-oct-2-en-1-ol (18409-17-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; for 3h;

DOI:10.1021/jo00120a025

Reference yield: 87.0%

ethyl (2E)-oct-2-enoate (2351-90-8,7367-82-0,42778-93-8) → (E)-oct-2-en-1-ol (18409-17-1)

Guidance literature:

With diisobutylaluminium hydride; In hexane; dichloromethane; at 0 - 20 ℃; for 2h;

DOI:10.1039/c9ob02689d

upstream raw materials:

(E)-2-Octenal

ethyl (2E)-oct-2-enoate

(E)-oct-2-enoic acid

n-butyl magnesium bromide

Downstream raw materials:

(E)-2-Octenal

1-ethyl-4-octylbenzene

trans-1-phenyl-2-octene

1-octen-3-ol

Refernces

• 1、 Shibasaki, Masakatsu,Ogawa, Yuji. "TOTAL SYNTHESIS OF CLAVULONES". . p. 3841 - 3844. Retrieved 1985.
• 2、 Glueck, Silvia M.,Fabian, Walter M. F.,Faber, Kurt,Mayer, Sandra F.. "Biocatalytic asymmetric rearrangement of a methylene-interrupted bis-epoxide: Simultaneous control of four asymmetric centers through a biomimetic reaction cascade". . p. 3467 - 3478. Retrieved 2004.
• 3、 Labar et al.. "". . p. 1145. Retrieved 1978.
• 4、 Brodl, Eveline,Ivkovic, Jakov,Tabib, Chaitanya R.,Breinbauer, Rolf,Macheroux, Peter. "Synthesis of α,β-unsaturated aldehydes as potential substrates for bacterial luciferases". . p. 1487 - 1495. Retrieved 2017/02/18.