(E,E,E)-2,7-dimethylocta-2,4,6-trienedial

Base Information

• Chemical Name: (E,E,E)-2,7-dimethylocta-2,4,6-trienedial
• CAS No.: 5056-17-7
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 2912190090
• European Community (EC) Number: 225-756-0
• DSSTox Substance ID: DTXSID201258250
• Nikkaji Number: J849.632C,J203.271F
• Metabolomics Workbench ID: 158105
• Mol file: 5056-17-7.mol

Synonyms:2,4,6-Octatrienedial,2,7-dimethyl-, (E,E,E)- (8CI,9CI);(E,E,E)-2,7-Dimethyl-2,4,6-octatrien-1,8-dial;(E,E,E)-2,7-Dimethylocta-2,4,6-trienedial;(all-E)-2,7-Dimethyl-2,4,6-octatrienedial;12,12'-Di-apo-carotenedial;all-E-2,7-Dimethylocta-2,4,6-triene-1,8-dial;all-trans-2,7-Dimethyl-2,4,6-octatrienedial;

Chemical Property of (E,E,E)-2,7-dimethylocta-2,4,6-trienedial

Chemical Property:

• Vapor Pressure: 0.000939mmHg at 25°C
• Melting Point: 162-163.5℃ (methanol )
• Refractive Index: 1.488
• Boiling Point: 303.3 °C at 760 mmHg
• Flash Point: 113.3 °C
• PSA: 34.14000
• Density: 0.973 g/cm³
• LogP: 1.83300
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform, Methanol (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

2,7-Dimethylocta-2,4,6-triene-1,8-dial ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC=CC=C(C)C=O)C=O
• Isomeric SMILES: C/C(=C\C=C\C=C(\C=O)/C)/C=O
• Uses: 2,7-Dimethylocta-2,4,6-triene-1,8-dial is a part of electrophilic carotenoid derivative that contributes to cancer prevention as well as in bone health maintenance through the inhibition of NFkB transcription system.

Technology Process of (E,E,E)-2,7-dimethylocta-2,4,6-trienedial

There total 53 articles about (E,E,E)-2,7-dimethylocta-2,4,6-trienedial 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: 94.0%

2,2'-(1,6-Dimethyl-1,3,5-hexatrienylen)bis(5,5-dimethyl-1,3-dioxan) (209615-09-8) → (2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial (5056-17-7)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1021/jo990987r

Reference yield: 92.0%

8,8-Dimethoxy-2,7-dimethylocta-2,4,6-trien-1-al → (2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial (5056-17-7)

Guidance literature:

With hydrogenchloride; In acetone; for 0.166667h; Ambient temperature;

Reference yield: 90.0%

(2E,4E,6E)-1,1,8,8-tetramethoxy-2,7-dimethylocta-2,4,6-triene (128759-95-5) → (2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial (5056-17-7)

Guidance literature:

With acetic acid; In tetrahydrofuran; at 45 ℃; for 3h;

DOI:10.1002/(SICI)1099-1344(199605)38:5<441::AID-JLCR848>3.0.CO;2-O

upstream raw materials:

2,7-dimethyl-octa-2,6-diene-1,8-diol

2,7-dimethyl-octa-2t,4c,6t-trienedial

(2E,4E,6E)-2,6-dimethylocta-2,4,6-triene-1,8-diol

benzene

Downstream raw materials:

(3S,3'S)-zeaxanthin

Crocetindimethylester

3,4,3',4'-tetradehydro-β,β-carotene-2,2'-dione

beta-carotene

Refernces

• 1、 -. "METHODS OF SYNTHESIZING CAROTENOIDS". Paragraph 0169; 0177-0180. . Retrieved 2021/10/15.
• 2、 -. "BIPOLAR TRANS CAROTENOID SALTS AND USES THEREOF". Paragraph 0083; 0097; 0131; 0132; 0133. . Retrieved 2018/10/26.