(E)-2-Octenal

Base Information

• Chemical Name: (E)-2-Octenal
• CAS No.: 2548-87-0
• Molecular Formula: C8H14 O
• Molecular Weight: 126.199
• Hs Code.: 29121900
• European Community (EC) Number: 219-833-8,219-115-4
• UNII: 55N91D7775
• DSSTox Substance ID: DTXSID40858789
• Nikkaji Number: J213.219B,J100.559F
• Wikidata: Q2448755
• ChEMBL ID: CHEMBL448058
• Mol file: 2548-87-0.mol

Synonyms:2-Octenal,(E)- (8CI); (2E)-Octenal; (E)-2-Octen-1-al; (E)-2-Octenal; (E)-Octen-2-enal;trans-2-Octanal; trans-2-Octenal; trans-Oct-2-en-1-al

Chemical Property of (E)-2-Octenal

Chemical Property:

• Appearance/Colour: colorless to slightly yellow liquid
• Melting Point: 3.5°C (estimate)
• Refractive Index: n20/D 1.45(lit.)
• Boiling Point: 84-86 ºC (19 mmHg)
• Flash Point: 150 ºF
• PSA: 17.07000
• Density: 0.846
• LogP: 2.32180
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Soluble), Methanol (Slightly)
• Water Solubility.: Not miscible or difficult to mix in water. Soluble in alcohol and fixed oils.
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 84.6

Purity/Quality:

99% ^*data from raw suppliers

trans-2-Octenal ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CCCCCC=CC=O
• Isomeric SMILES: CCCCC/C=C/C=O
• Uses: trans-2-Octenal is one of the probable major contributors to the Californian long-grain cooked rice odor.

Technology Process of (E)-2-Octenal

There total 119 articles about (E)-2-Octenal 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: 93.1%

1,1-diethoxy-oct-2c-ene (16387-56-7) → 2-octen-1-al (2548-87-0,20664-46-4,2363-89-5)

Guidance literature:

With toluene-4-sulfonic acid; In water; acetone; at 0 ℃; for 0.25h;

DOI:10.1021/jo00363a043

Reference yield: 93.0%

2-octenol (22104-78-5) → 2-octen-1-al (2548-87-0,20664-46-4,2363-89-5)

Guidance literature:

With 2-Picolinic acid; sodium nitrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; manganese (II) nitrate tetrahydrate; acetic acid; at 25 ℃; for 3h;

DOI:10.1002/cctc.201800438

Reference yield: 85.0%

1-Octyn-3-ol (818-72-4,37911-28-7) → 2-octen-1-al (2548-87-0,20664-46-4,2363-89-5)

Guidance literature:

With water; chlorocyclopentadienylbis(trimethylphosphine)ruthenium(II); In isopropyl alcohol; at 100 ℃; for 12h;

DOI:10.1016/S0040-4039(02)01821-X

upstream raw materials:

1,1-diethoxy-oct-2c-ene

(E)-oct-2-en-1-ol

methoxyethene

hexanal

Downstream raw materials:

1,1-diethoxy-oct-2-ene

ethyl 2E,4E-decadienoate

((1S,5S,6R)-6-Formyl-5-pentyl-cyclohex-2-enyl)-carbamic acid benzyl ester

((1S,5R,6S)-6-Formyl-5-pentyl-cyclohex-2-enyl)-carbamic acid benzyl ester

Refernces

• 1、 Fan, Chao,Hou, Jing,Chen, Yu-Jia,Ding, Kui-Ling,Zhou, Qi-Lin. "Rhodium-Catalyzed Regioselective Hydroformylation of Alkynes to α,β-Unsaturated Aldehydes Using Formic Acid". supporting information. p. 2074 - 2077. Retrieved 2021/04/05.
• 2、 -. "Iodine-catalyzed alcohol disproportionation method". Paragraph 0034-0035. . Retrieved 2021/06/13.