CAS No.502-65-8,Lycopene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	502-65-8
Name:	Lycopene
Article Data:	64
Cas Database

Formula:	C₄₀H₅₆
Molecular Weight:	536.885
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:	N/A
Appearance:	Pink Powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
Transport Information:	N/A
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

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

Raw Materials

71-43-2

Downstream Products

626-96-0

141-27-5

110-93-0

502-65-8

4418-71-7

64727-64-6

67-64-1

13018-46-7

Total:311 Page 1 of 9 1 2 3 4 5 6 …9 Next>>

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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.