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Astaxanthin

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Name

Astaxanthin

EINECS 207-451-4
CAS No. 472-61-7 Density 1.071 g/cm3
Solubility Melting Point 215-216 °C
Formula C40H52O4 Boiling Point 774 °C at 760 mmHg
Molecular Weight 596.85 Flash Point 435.8 °C
Transport Information Appearance Drak-purple solid
Safety 24/25-36-26 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 472-61-7 (Astaxanthin) Hazard Symbols HarmfulXn
Synonyms

 

Astaxanthin Specification

The Astaxanthin, with the CAS registry number 472-61-7, is also known as 3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione.It belongs to the product categories of Carotenoids;Intermediates & Fine Chemicals;Pharmaceuticals.Its EINECS number is 207-451-4.This chemical's molecular formula is C40H52O4 and molecular weight is 596.85.  What's more,Its systematic name is Astaxanthin.Carotenoid pigment found mostly in animal organisms, but also occuring in plants; thought to be the precursor of Astaxanthin. Animal studies indicate that it reduces blood glucose and ameliorates several parameters of the diabetic metabolic syndrome.

Physical properties about Astaxanthin are: (1)ACD/LogP: 8.163; (2)# of Rule of 5 Violations: 2 ; (3)ACD/LogD (pH 5.5): 8.16; (4)ACD/LogD (pH 7.4): 8.16; (5)ACD/BCF (pH 5.5): 941812.00; (6)ACD/BCF (pH 7.4): 941800.60; (7)ACD/KOC (pH 5.5): 657252.60; (8)ACD/KOC (pH 7.4): 657244.70; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Index of Refraction: 1.595; (13)Molar Refractivity: 189.377 cm3; (14)Molar Volume: 557.098 cm3; (15)Surface Tension: 44.6749992370605 dyne/cm; (16)Density: 1.071 g/cm3; (17)Flash Point: 435.837 °C; (18)Enthalpy of Vaporization: 128.448 kJ/mol; (19)Boiling Point: 774.042 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

The Astaxanthin is harmful by inhalation, in contact with skin and if swallowed.It is irritating to eyes, respiratory system and skin. When you use it ,wear suitable protective clothing, avoid contact with skin and eyes.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:O=C2/C(=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C1=C(/C(=O)C(O)CC1(C)C)C)C)C)C)C)C(C)(C)CC2O)C;
(2)Std. InChI:InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+;
(3)Std. InChIKey:MQZIGYBFDRPAKN-QISQUURKSA-N.

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