Ibr-clc

Base Information

• Chemical Name: Ibr-clc
• CAS No.: 27664-65-9
• Molecular Formula: C40H62
• Molecular Weight: 542.92
• UNII: 3V8034L59C
• DSSTox Substance ID: DTXSID40904730
• Wikipedia: Phytofluene
• Wikidata: Q3746185
• Metabolomics Workbench ID: 38227
• Mol file: 27664-65-9.mol

Synonyms:Ibr-clc;cis-Phytofluene;Phytofluene, (15Z)-;(15Z)-Phytofluene;UNII-3V8034L59C;27664-65-9;3V8034L59C;Lycopene, 7,7',8,8',11,12-hexahydro-, 15-cis-;omega,omega-Carotene, 7,7',8,8',11,12-hexahydro-, 15-cis-;psi,psi-Carotene, 7,7',8,8',11,12-hexahydro-, 15-cis-;15-cis-phytofluene;CHEBI:35165;DTXSID40904730;(6E,10E,12E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene;cis-7,7',8,8',11,12-Hexahydro-Carotene;Q3746185;15-cis-7,8,11,12,7',8'-hexahydro-psi,psi-carotene;.OMEGA.,.OMEGA.-CAROTENE, 7,7',8,8',11,12-HEXAHYDRO-, 15-CIS-;(12E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene

Chemical Property of Ibr-clc

Chemical Property:

• Boiling Point: 631.3°Cat760mmHg
• Flash Point: 337.8°C
• PSA: 0.00000
• Density: 0.87g/cm³
• LogP: 13.61000
• XLogP3: 15.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 19
• Exact Mass: 542.485151978
• Heavy Atom Count: 40
• Complexity: 1010

Purity/Quality:

99.3% ^*data from raw suppliers

PhytoflueneΔ16(17-E/Zmixture) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C
• Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C\C=C(/C)\C=C\C=C(/C)\CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C
• Uses: Carotenoid pigment molecule giving a superficial orange colour on the surface of fruits and vegetables

Technology Process of Ibr-clc

There total 2 articles about Ibr-clc 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:

phytofluene (13920-14-4) + p-benzoquinone (106-51-4) → 15-cis-phytofluene (27664-65-9) + all-(E)-phytofluene (540-05-6)

Guidance literature:

at 130 ℃;

DOI:10.1021/ja01640a020

Reference yield:

tetrachloromethane (56-23-5) + N-Bromosuccinimide (128-08-5) + phytofluene (13920-14-4) + acetic acid (64-19-7,77671-22-8) → 15-cis-phytofluene (27664-65-9) + all-(E)-phytofluene (540-05-6)

Guidance literature:

at 40 ℃;

DOI:10.1021/ja01640a020

Reference yield:

15-cis-phytofluene (27664-65-9) → all-(E)-phytofluene (540-05-6)

Guidance literature:

With hexane; iodine; beim Belichten;

DOI:10.1021/ja01121a047 DOI:10.1016/0003-9861(53)90172-6

upstream raw materials:

tetrachloromethane

N-Bromosuccinimide

phytofluene

acetic acid

Downstream raw materials:

all-(E)-phytofluene

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