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502-65-8

Basic Information
CAS No.: 502-65-8
Name: Lycopene
Molecular Structure:
Molecular Structure of 502-65-8 (Lycopene)
Formula: C40H56
Molecular Weight: 536.88 g/mol
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;
EINECS: 207-949-1
Density: 0.888 g/cm3
Melting Point: 172-173 °C
Boiling Point: 660.9 °C at 760 mmHg
Flash Point: 350.7 °C
Solubility:
Appearance: Pink Powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
Transport Information:
PSA: 0.00000
LogP: 12.93800
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
1116695-24-9

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(methoxymethyl) ether

502-65-8

lycopene

Conditions
ConditionsYield
With potassium methanolate In cyclohexane; benzene at 70 - 80℃; for 15h;56%
With potassium methanolate In cyclohexane; benzene at 70 - 80℃; for 15h; Product distribution / selectivity;56%
1116695-24-9

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(methoxymethyl) ether

A

502-65-8

lycopene

B

64727-64-6

(9Z)-lycophene

Conditions
ConditionsYield
With potassium methanolate In cyclohexane; benzene at 70 - 80℃; for 15h; Inert atmosphere;A 56%
B n/a

florisil

aqueous sodium chloride

aqueous sodium chloride

3,7,11-trimethyl-2,4,6,10-dodecatetraenylphosphonic acid, diethyl ester

5056-17-7

(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

502-65-8

lycopene

Conditions
ConditionsYield
With potassium tert-butylate In tetrahydrofuran; chloroform; benzene54%
1116695-26-1

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(1-ethoxyethyl) ether

502-65-8

lycopene

Conditions
ConditionsYield
With potassium methanolate In cyclohexane; benzene at 70 - 80℃; for 18h;52%
With potassium methanolate In cyclohexane; benzene at 70 - 80℃; for 18h; Product distribution / selectivity;52%
1116695-26-1

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(1-ethoxyethyl) ether

A

502-65-8

lycopene

B

64727-64-6

(9Z)-lycophene

Conditions
ConditionsYield
With potassium methanolate In cyclohexane; benzene at 70 - 80℃; for 18h; Inert atmosphere;A 52%
B n/a
1427286-53-0

(1E,3E)-2-[4,8-dimethylnona-1,3,7-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

1427286-50-7

(2E,4E,6E,8E,10E,12E,14E)-2,15-diiodo-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaene

502-65-8

lycopene

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); thallium(I) hydroxide; 2,6-di-tert-butyl-4-methyl-phenol In tetrahydrofuran; water; toluene at 25℃; for 5h; Suzuki Coupling; Inert atmosphere;52%
870636-74-1

C56H80O8S2

502-65-8

lycopene

Conditions
ConditionsYield
With potassium methanolate In cyclohexane at 80℃; for 16h;28%
56-23-5

tetrachloromethane

128-08-5

N-Bromosuccinimide

502-64-7

all-trans-neurosporene

64-19-7

acetic acid

502-65-8

lycopene

Conditions
ConditionsYield
at 0℃;
106-24-1

Geraniol

502-65-8

lycopene

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1.1: tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide / dichloromethane / 4 h / 0 - 25 °C / Molecular sieve; Inert atmosphere
2.1: lithium diisopropyl amide / tetrahydrofuran; hexane / 0.5 h / -78 °C / Inert atmosphere
2.2: 1.5 h / -78 - 25 °C / Inert atmosphere
3.1: zirconocene dichloride; diisobutylaluminium hydride / tetrahydrofuran; hexane / 1 h / 0 - 25 °C / Inert atmosphere
3.2: 0.5 h / -78 °C / Inert atmosphere
4.1: tetrakis(triphenylphosphine) palladium(0); copper(I) thiophene-2-carboxylate; Tetrabutylammoniumsalz der Diphenylphosphinsaeure / N,N-dimethyl-formamide / 0.75 h / 25 °C / Inert atmosphere
5.1: manganese(IV) oxide; sodium carbonate / dichloromethane / 0.5 h / 0 - 25 °C / Inert atmosphere
6.1: sodium hexamethyldisilazane / tetrahydrofuran; hexane / 0.5 h / 25 °C / Inert atmosphere
6.2: 2 h / -78 °C / Inert atmosphere
7.1: tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride / dichloromethane / 6.5 h / 50 °C / Inert atmosphere
View Scheme
Multi-step reaction with 3 steps
1: tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide / 2 h / 25 °C / Inert atmosphere
2: chromium dichloride; lithium chloride / tetrahydrofuran / 25 °C / Inert atmosphere
3: 2,6-di-tert-butyl-4-methyl-phenol; tetrakis(triphenylphosphine) palladium(0); thallium(I) hydroxide / water; tetrahydrofuran; toluene / 5 h / 25 °C / Inert atmosphere
View Scheme
With triphenylphosphine hydrochloride; N,N-dimethyl-formamide anschliessend mit 2,6,11,15-Tetramethyl-hexadeca-2t,4t,6t,8t,10t,12t,14t-heptaendial dann mit methanol. Natriummethylat;
59092-07-8

15-cis-lycopene

502-65-8

lycopene

Conditions
ConditionsYield
With Petroleum ether at 80 - 100℃;
<3,7-dimethyl-octa-2t(?),6-dienyl>-triphenyl-phosphonium bromide

<3,7-dimethyl-octa-2t(?),6-dienyl>-triphenyl-phosphonium bromide

502-65-8

lycopene

Conditions
ConditionsYield
With diethyl ether; phenyllithium anschliessend Erwaermen mit 2,6,11,15-Tetramethyl-hexadeca-2t,4t,6t,8t,10t,12t,14t-heptaendial in Dichlormethan;
59092-07-8

15-cis-lycopene

petroleum ether

petroleum ether

502-65-8

lycopene

Conditions
ConditionsYield
at 80℃;
13018-46-7

(13Z)-lycophene

7553-56-2

iodine

71-43-2

benzene

B

502-65-8

lycopene

Conditions
ConditionsYield
at 25℃;
13018-46-7

(13Z)-lycophene

7553-56-2

iodine

petroleum ether

petroleum ether

B

502-65-8

lycopene

Conditions
ConditionsYield
at 20℃;
7553-56-2

iodine

71-43-2

benzene

A

13018-46-7

(13Z)-lycophene

B

502-65-8

lycopene

Conditions
ConditionsYield
di-cis(?)-lycopene;
7553-56-2

iodine

petroleum ether

petroleum ether

A

13018-46-7

(13Z)-lycophene

B

502-65-8

lycopene

Conditions
ConditionsYield
di-cis(?)-lycopene;
13018-46-7

(13Z)-lycophene

502-65-8

lycopene

Conditions
ConditionsYield
With hydrogenchloride; sodium chloride; pepsin; Tween-20 In various solvent(s) at 37℃; Kinetics;
Multi-step reaction with 2 steps
1: hexane / 792 h / 20 °C
2: hexane / 792 h / 20 °C
View Scheme
In ethyl acetate at 20℃; for 1128h; Reactivity; Heating;
502-65-8

lycopene

A

103956-99-6, 1071-52-9

(2E,4E,6E,8E,10E,12E,14E)-2,7,11,15,19-pentamethylicosa-2,4,6,8,10,12,14,18-octaenal

B

(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,26-dodecaene

C

(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19-pentamethyldocosa-2,4,6,8,10,12,14,16,18-nonaenedial

D

(4E,6E,8E,10E,12E,14E,16E)-4,8,12,17-tetramethyl-18-oxononadeca-4,6,8,10,12,14,16-heptaenal

E

(2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenedial

Conditions
ConditionsYield
With potassium permanganate; cetyltrimethylammonim bromide In dichloromethane; water; toluene at 26℃; for 0.5h;A 10.8%
B 7.5%
C 19.73%
D 13.5%
E 23.2%
56-23-5

tetrachloromethane

128-08-5

N-Bromosuccinimide

502-65-8

lycopene

4481-63-4

(3E,3'E)-3,4,3',4'-tetradehydro-ψ,ψ-carotene

502-65-8

lycopene

6,8'-diapo-carotene-6,8'-dial

Conditions
ConditionsYield
With potassium permanganate; sodium carbonate; benzene
502-65-8

lycopene

A

103957-00-2

apo-8'-lycopenal

B

22255-36-3

apo-6'-lycopenal

Conditions
ConditionsYield
With potassium permanganate; sodium carbonate; benzene
502-65-8

lycopene

66803-17-6, 143167-26-4

(+/-)-5,6-dihydro-ψ,ψ-carotene-5rF,6tF-diol

Conditions
ConditionsYield
With chloroform; boron fluoride ether anschliessendes Behandeln mit wasserhaltigem Aceton und Natriumhydrogencarbonat;
502-65-8

lycopene

124270-73-1

(+/-)-5rF,6tF-dimethoxy-5,6-dihydro-ψ,ψ-carotene

Conditions
ConditionsYield
With boron fluoride ether anschliessendes Behandeln mit Methanol;
Conditions
ConditionsYield
With iodine di-cis(?)-lycopene;
at 25℃; di-cis(?)-lycopene;
Multi-step reaction with 2 steps
1: benzene / bei kurzem Kochen
2: iodine
View Scheme
In ethyl acetate for 12h; Reflux;
502-65-8

lycopene

13018-46-7

(13Z)-lycophene

Conditions
ConditionsYield
With benzene at 20℃; beim Stehenlassen;
With benzene at 20℃; beim Stehenlassen; bei Gegenwart von Jod;
With benzene bei kurzem Kochen;
With hydrogenchloride; sodium chloride; pepsin; Tween-20 In various solvent(s) at 37℃; Kinetics;
Sonication; Heating;
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    502-65-8

    MSDS/COA Download

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    502-65-8

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    502-65-8

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    502-65-8

    Lycopene

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    502-65-8

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    502-65-8

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    502-65-8

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    502-65-8

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    502-65-8

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    1.Prompt Goods; 2.Flexible payment terms; 3.Documents & Certificate support. Name: Lycopene Molecular Structure: Formula: C40H56 Molecular Weight : 536.87 Synonyms: 4,4-CAROTENE;LYCOSOURCE;LYCOPENE;JARCOPENE(TM);2,6,10,14,19,23,27,31-OCTA

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    502-65-8

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    Tomato Extract,Lycopene Content Specifications: 5%, 10%,20% Lycopene Test by HPLC Molecular Formula: C40H56 Molecular Mass: 536.87 CAS No.: 502-65-8 Name: Lycopene Extract Specification: 5.0%~90.0% Lycopene Efficacy: Anti-cancer,protect pros

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    502-65-8

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  • Tomato Extract Powder CAS 502-65-8 Lycopene

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    502-65-8

    Tomato Extract Powder CAS 502-65-8 Lycopene

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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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