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Lycopene(CAS No. 502-65-8)

Lycopene C40H56 (cas 502-65-8) Molecular Structure

502-65-8 Structure

Identification and Related Records

【Name】
Lycopene
【Iupac name】
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,
31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
【CAS Registry number】
502-65-8
【Synonyms】
Lycopene (VAN)(sales9 at lgberry dot com dot cn )
Lycopene -tomato extract
Lycopene 7
CI 75125
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
2,6,8,10,12,14,16,18,20,22,24,26, 30-Dotriacontatridecaene, 2,6,10,14,19,23,27,31-octamethyl-, (all-E)-
all-trans-Lycopene
Lycopene, all-trans- (8CI)
Natural yellow 27
psi,psi-carotene
(6Z,8E,10E,12E,14E,16E,18Z,20E,22Z,24E,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
trans-Lycopene
Lycopene (VAN)
【EINECS(EC#)】
207-949-1
【Molecular Formula】
C40H56 (Products with the same molecular formula)
【Molecular Weight】
536.88
【Inchi】
InChI=1/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+
【InChIKey】
OAIJSZIZWZSQBC-GYZMGTAESA-N
【Canonical SMILES】
CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C
【Isomers smiles】
CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\
C)\C)/C)/C)/C)C
【MOL File】
502-65-8.mol

Chemical and Physical Properties

【Appearance】
Dark red fine powder or oil
【Density】
0.888 g/cm3
【Melting Point】
172-173℃
【Boiling Point】
660.9 oC
【Refractive Index】
1.53
【Flash Point】
350.7 oC
【Water】
Stability
【Solubilities】
Stability
【Stability】
Heat sensitive - store at -70 C. Combustible. Incompatible with strong oxidizing agents.
【Storage temp】
?70°C
【Computed Properties】
Molecular Weight:536.87264 [g/mol]
Molecular Formula:C40H56
XLogP3-AA:15.6
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:16
Exact Mass:536.438202
MonoIsotopic Mass:536.438202
Topological Polar Surface Area:0
Heavy Atom Count:40
Formal Charge:0
Complexity:1050
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:11
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
26-36/37/39
【Safety】

Hazard Codes:??IrritantXi
Risk Statements:? 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements:? 26-36/37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany:? 3
F:? 8-10-23

【Specification】

?Lycopene (CAS NO.502-65-8) is a bright red carotene and carotenoid pigment and phytochemical found in tomatoes and other red fruits & vegetables, such as red carrots, watermelons and papayas (but not strawberries or cherries). Although lycopene is chemically a carotene, it has no vitamin A activity. And it is?incompatible with strong oxidizing agents.?

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved.
- Naturally occurring or synthetic substances that inhibit or retard the oxidation of a substance to which it is added. They counteract the harmful and damaging effects of oxidation in animal tissues.
- Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other, e.g. military, purposes.

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