12'-Apo-beta-carotenal

Base Information

Chemical Name:12'-Apo-beta-carotenal
CAS No.:1638-05-7
Molecular Formula:C25H34 O
Molecular Weight:350.544
Hs Code.:
European Community (EC) Number:415-770-7
DSSTox Substance ID:DTXSID40167661
Nikkaji Number:J14.369C,J2.835.293J,J2.685.514D
Wikidata:Q27123989
Metabolomics Workbench ID:58572
Mol file:1638-05-7.mol

Synonyms:12'-Apo-beta-carotenal;12'-Apo-beta,psi-carotenal;1638-05-7;12'-apo-beta-caroten-12'-al;beta-Apo-12'-carotenal;EC 415-770-7;2,7,11-trimethyl-13-(2,6,6-trimethylcyclohex-1-en-1-yl)tridecahexaen-2,4,6,8,10,12-al;12'-apo-carotenal;12-Apo-|A-carotenal;12/'-Apo-beta,psi-carotenal;SCHEMBL10452582;CHEBI:53160;C25H34O;DTXSID40167661;BQTOMHXDSCUCFR-PHPDKTIJSA-N;12'-Apo-.beta.,.psi.-carotenal;C25-H34-O;12'-Apo-.beta.-carotenal, all-trans-;Q27123989;2,7,11-Trimethyl-13-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8,10,12-tridecahexaenal;(2E,4E,6E,8E,10E,12E)-2,7,11-trimethyl-13-(2,6,6-trimethylcyclohexen-1-yl)trideca-2,4,6,8,10,12-hexaenal

Suppliers and Price of 12'-Apo-beta-carotenal

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
12''-Apo-β,ψ-carotenal
250mg
$ 1295.00

TRC
12''-Apo-β,ψ-carotenal
50mg
$ 320.00

TRC
12''-Apo-β,ψ-carotenal
25mg
$ 170.00

Total 6 raw suppliers

Chemical Property of 12'-Apo-beta-carotenal

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:88-89 °C
Boiling Point:503.143°C at 760 mmHg
Flash Point:243.777°C
PSA：17.07000
Density:0.949g/cm³
LogP:7.21940
XLogP3:7.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:7
Exact Mass:350.260965704
Heavy Atom Count:26
Complexity:700

Purity/Quality:

99.9% ^*data from raw suppliers

12''-Apo-β,ψ-carotenal ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 43-48/22-52/53
Safety Statements: 22-36/37-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=O)C)C
Isomeric SMILES:CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=O)/C)/C
General Description 12APOBETACAROTENAL (also known as β-apo-12'-carotenal) is a carotenoid derivative that exists in multiple cis-trans isomeric forms, including all-trans, mono-cis (9-, 13-, 15-, 13'-), and di-cis (9,13-, 9,13'-, 13,13'-) configurations. Its isomeric composition has been characterized using high-pressure liquid chromatography (HPLC) and 1H NMR spectroscopy, with techniques such as COSY and NOESY aiding in signal assignment and configurational determination. 12APOBETACAROTENAL's structural properties and isomerization behavior have been compared to related retinoids and carotenoids, such as retinal and β-apo-8'-carotenal, highlighting differences based on conjugated chain length.

Technology Process of 12'-Apo-beta-carotenal

There total 25 articles about 12'-Apo-beta-carotenal 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: 53.0%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: 53282-28-3
[(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-2,4-dienyl]triphenylphosphonium chloride

: 1638-05-7
12'-apo-β-caroten-12'-al

Guidance literature:: With sodium methylate; In dichloromethane; for 2.33333h; Ambient temperature;
DOI:10.1002/hlca.19810640754

Reference yield: 38.0%

: 1050-75-5
(2E,4E,6E,8E,10E,12E)-2,7,11-trimethyl-13-(2,6,6-trimethylcyclohex-1-en-1-yl)trideca-2,4,6,8,10,12-hexaene-1-ol

: 1638-05-7
12'-apo-β-caroten-12'-al

Guidance literature:: With manganese(IV) oxide; sodium carbonate; In dichloromethane; at 0 - 25 ℃; for 4h;
DOI:10.1016/j.tet.2018.03.050

Reference yield:

: 7235-40-7
beta-carotene

: 1638-05-7
12'-apo-β-caroten-12'-al

: 116-31-4
all-trans-Retinal

: 640-49-3
4,9,13-trimethyl-15-(2,6,6-trimethylcyclohex-1-enyl)pentadeca-2,4,6,8,10,12,14-heptaenal

Guidance literature:: With tert.-butylhydroperoxide; Ru[5,15-bis(tolyl)-10,20-bis(6-O-β-cyclodextryl)porphyrin]; In hexane; chloroform; water; for 24h;
DOI:10.1002/(SICI)1521-3773(20000403)39:7<1267::AID-ANIE1267>3.0.CO;2-7