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Lycopene
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Name

Lycopene

 EINECS 207-949-1
CAS No. 502-65-8 Density 0.888 g/cm3
PSA 0.00000 LogP 12.93800
Solubility N/A Melting Point 172-173 °C
Formula C40H56 Boiling Point 660.9 °C at 760 mmHg
Molecular Weight 536.885 Flash Point 350.7 °C
Transport Information N/A Appearance Pink Powder
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 502-65-8 (Lycopene) Hazard Symbols IrritantXi
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);Tomato Extract;

Article Data 64

Lycopene Synthetic route

1116695-25-0

8,16,25-tris(benzenesulfonyl)-2,6,10,14,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaene-9,24-diol, bis(tetrahydropyranyl) ether

502-65-8

lycopene

Conditions
ConditionsYield
With potassium methanolate In cyclohexane; benzene at 70 - 80℃; for 13h;79%
With potassium methanolate In cyclohexane; benzene at 70 - 80℃; for 13h; Product distribution / selectivity;79%
1116695-25-0

8,16,25-tris(benzenesulfonyl)-2,6,10,14,19,23,27,31-octamethyl-2,6,10,14,18,22,26,30-dotriacontaoctaene-9,24-diol, bis(tetrahydropyranyl) ether

A

502-65-8

lycopene

B

64727-64-6

(9Z)-lycophene

Conditions
ConditionsYield
With potassium methanolate In cyclohexane; benzene at 70 - 80℃; for 13h; Inert atmosphere;A 79%
B n/a
359643-76-8

7,7',11,11'-tetra(phenylsulfonyl)-7,7',8,8',11,11',12,12'-octahydrolycopene

A

502-65-8

lycopene

B

64727-64-6

(9Z)-lycophene

Conditions
ConditionsYield
With sodium ethanolate In ethanol Heating;A 78%
B 20%
630426-43-6

11,11',12,12'-tetrahydro-11,11'-bis(phenylsulfonyl)lycopene

502-65-8

lycopene

Conditions
ConditionsYield
With sodium ethanolate In ethanol; benzene at 90℃; for 12h;78%
502-70-5

crocetindial

benzothiazol-2-yl geranyl sulfone

502-65-8

lycopene

Conditions
ConditionsYield
Stage #1: benzothiazol-2-yl geranyl sulfone With sodium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.25h;
Stage #2: crocetindial In tetrahydrofuran at -78℃; for 1.5h;		72%
38279-34-4

dodecanedial

1239885-49-4

3,7,11-trimethyl-1,3,6,10-tetraene-dodecyl diethyl phosphonate

502-65-8

lycopene

Conditions
ConditionsYield
Stage #1: 3,7,11-trimethyl-1,3,6,10-tetraene-dodecyl diethyl phosphonate With n-butyllithium In tetrahydrofuran; hexane at -40℃; for 2h; Inert atmosphere;
Stage #2: dodecanedial In tetrahydrofuran; hexane at -40 - 30℃; for 1.58333h;		71%
5056-17-7, 3049-35-2

2,7-dimethyl-2,4,6-octanetriene-1,8-dialdehyde

1239885-49-4

3,7,11-trimethyl-1,3,6,10-tetraene-dodecyl diethyl phosphonate

502-65-8

lycopene

Conditions
ConditionsYield
Stage #1: 3,7,11-trimethyl-1,3,6,10-tetraene-dodecyl diethyl phosphonate With potassium tert-butylate In tetrahydrofuran; dimethyl sulfoxide at -30 - -25℃; for 5h; Wittig-Horner Reaction; Inert atmosphere;
Stage #2: 2,7-dimethyl-2,4,6-octanetriene-1,8-dialdehyde In tetrahydrofuran; dimethyl sulfoxide at -30 - 20℃; for 1.25h; Wittig-Horner Reaction; Inert atmosphere;		59%
Stage #1: 3,7,11-trimethyl-1,3,6,10-tetraene-dodecyl diethyl phosphonate With potassium tert-butylate In tetrahydrofuran; dimethyl sulfoxide at 5℃; for 2h; Inert atmosphere;
Stage #2: 2,7-dimethyl-2,4,6-octanetriene-1,8-dialdehyde In tetrahydrofuran; dimethyl sulfoxide at 5 - 25℃; for 1.58h;
Stage #3: In chloroform for 2h; Reflux; Inert atmosphere;		52.3%
Stage #1: 3,7,11-trimethyl-1,3,6,10-tetraene-dodecyl diethyl phosphonate With potassium tert-butylate In tetrahydrofuran; dimethyl sulfoxide at 5℃; for 2h; Inert atmosphere;
Stage #2: 2,7-dimethyl-2,4,6-octanetriene-1,8-dialdehyde In tetrahydrofuran; dimethyl sulfoxide at 5 - 25℃; for 1.58333h;		52.3%
1353023-72-9

(3E,5E,7E,9E,11E)-4,8,12,16-tetramethylheptadeca-1,3,5,7,9,11,15-heptaene

502-65-8

lycopene

Conditions
ConditionsYield
With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In dichloromethane at 50℃; for 6.5h; Inert atmosphere;58%
1116695-27-2

9,24-dibromo-8,16,25-tris(benzenesulfonyl)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaene

502-65-8

lycopene

Conditions
ConditionsYield
With potassium methanolate In cyclohexane; benzene at 70 - 80℃; for 11h;57%
With potassium methanolate In cyclohexane; benzene at 70 - 80℃; for 11h; Product distribution / selectivity;57%
1116695-27-2

9,24-dibromo-8,16,25-tris(benzenesulfonyl)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaene

A

502-65-8

lycopene

B

64727-64-6

(9Z)-lycophene

Conditions
ConditionsYield
With potassium methanolate In cyclohexane; benzene at 70 - 80℃; for 11h; Inert atmosphere;A 57%
B n/a

Lycopene Specification

The Lycopene, with the CAS registry number 502-65-8, is also known as Lycopene,all-trans-;Psi,psi-carotene;psi,psi-Carotene.It belongs to the product categories of Natural Plant Extract;Aliphatics;Nutritional Ingredients;Intermediates & Fine Chemicals;Pharmaceuticals;Plant extract;from Blakeslea Trispora. Its EINECS number is 207-949-1.This chemical's molecular formula is C40H56 and molecular weight is 536.88. What's more,Its systematic name is Lycopene. moisture sensitive.when you use it, avoid contact with skin and eyes.The Lycopene is pink Powder, heat sensitive-store at-70 C.Combustible.Incompatible with strong oxidizing agents. And it is Carotenoid antioxidant occurring in ripe fruit, especially in tomatoes.

Physical properties about Riboflavin are: (1)ACD/LogP: 15.19; (2)# of Rule of 5 Violations: 2 ; (3)ACD/LogD (pH 5.5): 15.19; (4)ACD/LogD (pH 7.4): 15.19; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 10000000.00; (8)ACD/KOC (pH 7.4): 10000000.00; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Index of Refraction: 1.531; (13)Molar Refractivity: 186.857 cm3; (14)Molar Volume: 604.206 cm3; (15)Surface Tension: 31.0919990539551 dyne/cm; (16)Density: 0.889 g/cm3; (17)Flash Point: 350.736 °C Enthalpy of Vaporization: 93.728 kJ/mol; (18)Boiling Point: 660.905 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

The Lycopene may cause damage to health. It is irritating to eyes, respiratory system and skin .When you use it ,wear suitable protective clothing, gloves and eye/face protection.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .

You can still convert the following datas into molecular structure:
(1)SMILES:C(\C=C\C=C(\CC/C=C(\C)C)C)(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(\C)CC\C=C(/C)C)C)C)C)C;
(2)Std. InChI:InChI=1S/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+;
(3)Std. InChIKey:OAIJSZIZWZSQBC-GYZMGTAESA-N.

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