Astaxanthin supplier | CasNO.472-61-7

Name
Astaxanthin
EINECS 207-451-4
CAS No. 472-61-7
Article Data14
CAS DataBase
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
Hazard Symbols Xn
Synonyms Astaxanthin(3,3-Dihydroxy-Beta,Beta-Carotene-4,4-Dione);Astaxanthin Discontinued;
PSA 74.60000
LogP 8.90540

Synthetic route

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: <5-((S)-4-Hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl>triphenylphosphoniumbromid

A: 472-61-7
(3S,3'S)-astaxanthin

B: 71772-51-5
(3R,3'S)-3,3′-dihydroxy-β,β′-caroten-4,4′-dione

Conditions

Conditions	Yield
With sodium methylate In methanol at 0 - 25℃; for 4h;	A 94.6% B 4.2 % Chromat.
In various solvent(s) for 20h; Heating;	A 97.7 % Chromat. B 2.1 % Chromat.

...Expand

: 696647-73-1
C12H20O4

: [(4E)-5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl]-triphenylphosphonium bromide

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
Stage #1: C12H20O4; [(4E)-5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl]-triphenylphosphonium bromide With sodium methylate In methanol at 0℃; for 2h; Wittig Reaction; Stage #2: With acetic acid In methanol; water at 20 - 75℃; for 20h; Heating / reflux;	83%

: (3S,3'S)-Astaxanthin-di-(-)-camphanat

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
With sodium hydroxide In methanol; dichloromethane for 1.16667h; Ambient temperature;	73%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: <5-((S)-4-Hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl>triphenylphosphoniumbromid

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
	70.7%

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: [(2E,4E)-3-Methyl-5-((S)-2,6,6-trimethyl-3-oxo-4-phenoxymethoxycarbonyl-cyclohex-1-enyl)-penta-2,4-dienyl]-triphenyl-phosphonium; bromide

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
With sodium hydride In dichloromethane; isopropyl alcohol

: (3S,3'S)-astaxanthin disulfate

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
With hydrogenchloride In methanol at 40℃;

: 6094-35-5, 28082-20-4
3,4,3',4'-tetrahydroxy-β,β-carotene

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 1,4-dioxane

: (S)-6-Hydroxy-3-(5-hydroxy-3-methyl-1,3-pentadienyl)-2,4,4-trimethyl-2-cyclohexen-1-on

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: aq. HBr / CH2Cl2 / 0.17 h / 0 °C 3: 94.6 percent / NaOMe / methanol / 4 h / 0 - 25 °C View Scheme

: (S)-3-((1E,3E)-5-Bromo-3-methyl-penta-1,3-dienyl)-6-hydroxy-2,4,4-trimethyl-cyclohex-2-enone

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: 94.6 percent / NaOMe / methanol / 4 h / 0 - 25 °C View Scheme

: 7542-45-2
3,3'-dihydroxy-β,β-carotene-4,4'-dione

A: 472-61-7
(3S,3'S)-astaxanthin

B: 60760-95-4
(3R,3'R)-3,3′-dihydroxy-β,β′-caroten-4,4′-dione

C: 71772-51-5
(3R,3'S)-3,3′-dihydroxy-β,β′-caroten-4,4′-dione

Conditions

Conditions	Yield
Resolution of racemate;

...Expand

: 72523-68-3
(S)-2,7,11-trimethyl-13-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-2,4,6,8,10,12-tridecahexaen-1-al

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
In ethanol for 3h; Heating / reflux;

: astaxanthin radical-cation

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
With daidzein dianion In methanol; chloroform at 25℃; Thermodynamic data; Kinetics; Reagent/catalyst;

: (4S)-4-acetoxy-3-oxo-1-(3-oxo-1-butenyl)-2,6,6-trimethyl-1-cyclohexene

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: E-2 / aq. phosphate buffer; acetone / 1 h / 20 - 30 °C / pH 7 / Large scale; Enzymatic reaction 2.1: pyridinium p-toluenesulfonate / toluene / 0.5 h / -5 - 5 °C / Large scale 3.1: tetrahydrofuran / 2 h / -75 - -55 °C / Large scale 4.1: hydrogen bromide / dichloromethane / 0.5 h / -21 - -11 °C / Large scale 5.1: triphenylphosphine; ethyloxirane / ethyl acetate / 24 h / 0 - 30 °C / Large scale 5.2: 30 h / Reflux; Inert atmosphere; Large scale View Scheme

Yield

Multi-step reaction with 5 steps
1.1: E-2 / aq. phosphate buffer; acetone / 1 h / 20 - 30 °C / pH 7 / Large scale; Enzymatic reaction
2.1: pyridinium p-toluenesulfonate / toluene / 0.5 h / -5 - 5 °C / Large scale
3.1: tetrahydrofuran / 2 h / -75 - -55 °C / Large scale
4.1: hydrogen bromide / dichloromethane / 0.5 h / -21 - -11 °C / Large scale
5.1: triphenylphosphine; ethyloxirane / ethyl acetate / 24 h / 0 - 30 °C / Large scale
5.2: 30 h / Reflux; Inert atmosphere; Large scale
View Scheme

: (4S)-4-hydroxy-3-oxo-1-(3-oxo-1-butenyl)-2,6,6-trimethyl-1-cyclohexene

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: pyridinium p-toluenesulfonate / toluene / 0.5 h / -5 - 5 °C / Large scale 2.1: tetrahydrofuran / 2 h / -75 - -55 °C / Large scale 3.1: hydrogen bromide / dichloromethane / 0.5 h / -21 - -11 °C / Large scale 4.1: triphenylphosphine; ethyloxirane / ethyl acetate / 24 h / 0 - 30 °C / Large scale 4.2: 30 h / Reflux; Inert atmosphere; Large scale View Scheme

: (4S)-4-(2-methoxypropan-2-yloxy)-3-oxo-1-(3-oxo-1-butenyl)-2,6,6-trimethyl-1-cyclohexene

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: tetrahydrofuran / 2 h / -75 - -55 °C / Large scale 2.1: hydrogen bromide / dichloromethane / 0.5 h / -21 - -11 °C / Large scale 3.1: triphenylphosphine; ethyloxirane / ethyl acetate / 24 h / 0 - 30 °C / Large scale 3.2: 30 h / Reflux; Inert atmosphere; Large scale View Scheme

: 1-(3-hydroxy-3-methyl-1,4-pentadienyl)-(4S)-4-(2-methoxypropan-2-yloxy)-3-oxo-2,6,6-trimethyl-1-cyclohexene

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: hydrogen bromide / dichloromethane / 0.5 h / -21 - -11 °C / Large scale 2.1: triphenylphosphine; ethyloxirane / ethyl acetate / 24 h / 0 - 30 °C / Large scale 2.2: 30 h / Reflux; Inert atmosphere; Large scale View Scheme

: 5056-17-7
(2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial

: 1-(5-bromo-3-methyl-1,3-pentadienyl)-(4S)-4-hydroxy-3-oxo-2,6,6-trimethyl-1-cyclohexene

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
Stage #1: 1-(5-bromo-3-methyl-1,3-pentadienyl)-(4S)-4-hydroxy-3-oxo-2,6,6-trimethyl-1-cyclohexene With ethyloxirane; triphenylphosphine In ethyl acetate at 0 - 30℃; for 24h; Large scale; Stage #2: (2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial With ethyloxirane; 2,6-di-tert-butyl-4-methyl-phenol In isopropyl alcohol for 30h; Reflux; Inert atmosphere; Large scale;	1.53 kg

: 2-[2-((4RS)-4-acetoxy-3-oxo-2,6,6-trimethyl-1-cyclohexenyl)vinyl]-2-methyl-1,3-dioxolane

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1.1: LAY 400-AF / aq. phosphate buffer; toluene / 24 h / 37 °C / pH 7 / Enzymatic reaction 1.2: 3 h / 50 °C 2.1: hydrogenchloride / toluene; methanol; water / 2 h / 20 - 30 °C 3.1: E-2 / aq. phosphate buffer; acetone / 1 h / 20 - 30 °C / pH 7 / Large scale; Enzymatic reaction 4.1: pyridinium p-toluenesulfonate / toluene / 0.5 h / -5 - 5 °C / Large scale 5.1: tetrahydrofuran / 2 h / -75 - -55 °C / Large scale 6.1: hydrogen bromide / dichloromethane / 0.5 h / -21 - -11 °C / Large scale 7.1: triphenylphosphine; ethyloxirane / ethyl acetate / 24 h / 0 - 30 °C / Large scale 7.2: 30 h / Reflux; Inert atmosphere; Large scale View Scheme
Multi-step reaction with 7 steps 1.1: LAY 400-AF / aq. phosphate buffer; toluene / 24 h / 37 °C / pH 7 / Enzymatic reaction 2.1: hydrogenchloride / toluene; methanol; water / 2 h / 20 - 30 °C 3.1: E-2 / aq. phosphate buffer; acetone / 1 h / 20 - 30 °C / pH 7 / Large scale; Enzymatic reaction 4.1: pyridinium p-toluenesulfonate / toluene / 0.5 h / -5 - 5 °C / Large scale 5.1: tetrahydrofuran / 2 h / -75 - -55 °C / Large scale 6.1: hydrogen bromide / dichloromethane / 0.5 h / -21 - -11 °C / Large scale 7.1: triphenylphosphine; ethyloxirane / ethyl acetate / 24 h / 0 - 30 °C / Large scale 7.2: 30 h / Reflux; Inert atmosphere; Large scale View Scheme

Yield

Multi-step reaction with 7 steps
1.1: LAY 400-AF / aq. phosphate buffer; toluene / 24 h / 37 °C / pH 7 / Enzymatic reaction
1.2: 3 h / 50 °C
2.1: hydrogenchloride / toluene; methanol; water / 2 h / 20 - 30 °C
3.1: E-2 / aq. phosphate buffer; acetone / 1 h / 20 - 30 °C / pH 7 / Large scale; Enzymatic reaction
4.1: pyridinium p-toluenesulfonate / toluene / 0.5 h / -5 - 5 °C / Large scale
5.1: tetrahydrofuran / 2 h / -75 - -55 °C / Large scale
6.1: hydrogen bromide / dichloromethane / 0.5 h / -21 - -11 °C / Large scale
7.1: triphenylphosphine; ethyloxirane / ethyl acetate / 24 h / 0 - 30 °C / Large scale
7.2: 30 h / Reflux; Inert atmosphere; Large scale
View Scheme

Multi-step reaction with 7 steps
1.1: LAY 400-AF / aq. phosphate buffer; toluene / 24 h / 37 °C / pH 7 / Enzymatic reaction
2.1: hydrogenchloride / toluene; methanol; water / 2 h / 20 - 30 °C
3.1: E-2 / aq. phosphate buffer; acetone / 1 h / 20 - 30 °C / pH 7 / Large scale; Enzymatic reaction
4.1: pyridinium p-toluenesulfonate / toluene / 0.5 h / -5 - 5 °C / Large scale
5.1: tetrahydrofuran / 2 h / -75 - -55 °C / Large scale
6.1: hydrogen bromide / dichloromethane / 0.5 h / -21 - -11 °C / Large scale
7.1: triphenylphosphine; ethyloxirane / ethyl acetate / 24 h / 0 - 30 °C / Large scale
7.2: 30 h / Reflux; Inert atmosphere; Large scale
View Scheme

: 2-[2-((4S)-4-acetoxy-3-oxo-2,6,6-trimethyl-1-cyclohexenyl)vinyl]-2-methyl-1,3-dioxolane

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: hydrogenchloride / toluene; methanol; water / 2 h / 20 - 30 °C 2.1: E-2 / aq. phosphate buffer; acetone / 1 h / 20 - 30 °C / pH 7 / Large scale; Enzymatic reaction 3.1: pyridinium p-toluenesulfonate / toluene / 0.5 h / -5 - 5 °C / Large scale 4.1: tetrahydrofuran / 2 h / -75 - -55 °C / Large scale 5.1: hydrogen bromide / dichloromethane / 0.5 h / -21 - -11 °C / Large scale 6.1: triphenylphosphine; ethyloxirane / ethyl acetate / 24 h / 0 - 30 °C / Large scale 6.2: 30 h / Reflux; Inert atmosphere; Large scale View Scheme

Yield

Multi-step reaction with 6 steps
1.1: hydrogenchloride / toluene; methanol; water / 2 h / 20 - 30 °C
2.1: E-2 / aq. phosphate buffer; acetone / 1 h / 20 - 30 °C / pH 7 / Large scale; Enzymatic reaction
3.1: pyridinium p-toluenesulfonate / toluene / 0.5 h / -5 - 5 °C / Large scale
4.1: tetrahydrofuran / 2 h / -75 - -55 °C / Large scale
5.1: hydrogen bromide / dichloromethane / 0.5 h / -21 - -11 °C / Large scale
6.1: triphenylphosphine; ethyloxirane / ethyl acetate / 24 h / 0 - 30 °C / Large scale
6.2: 30 h / Reflux; Inert atmosphere; Large scale
View Scheme

: 514-78-3
canthaxanthin

: 472-61-7
(3S,3'S)-astaxanthin

Conditions

Conditions	Yield
Stage #1: canthaxanthin With iodosylbenzene; sodium hydroxide In methanol at 10 - 20℃; for 12.5h; Inert atmosphere; Stage #2: With sulfuric acid In water at 20℃; for 5h; Reagent/catalyst; Temperature; Solvent;	4.48 g

: 472-61-7
(3S,3'S)-astaxanthin

: 112-67-4
n-hexadecanoyl chloride

A: 5794-22-9
astaxanthin dipalmitate

B: (6S)-6-palmitoyloxy-3-[(all-E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-1-cyclohex-2-enone

Conditions

Conditions	Yield
With pyridine In dichloromethane for 5h; Concentration;	A 92.48% B 0.63%

...Expand

: 472-61-7
(3S,3'S)-astaxanthin

: C16H23ClO3Si

: astaxanthin diferulate

Conditions

Conditions	Yield
Stage #1: (3S,3'S)-astaxanthin; C16H23ClO3Si With pyridine In dichloromethane at 0 - 20℃; Inert atmosphere; Stage #2: With caesium carbonate In water; N,N-dimethyl-formamide for 2h; Inert atmosphere;	80%

: 472-61-7
(3S,3'S)-astaxanthin

: 112-76-5
Stearoyl chloride

: 173422-82-7
astaxanthin dioctadecanoate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃;	80%

: 472-61-7
(3S,3'S)-astaxanthin

: 112-67-4
n-hexadecanoyl chloride

: 5794-22-9
astaxanthin dipalmitate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃; Concentration; Reagent/catalyst; Temperature; Solvent;	73%
With pyridine

: 112-16-3
n-dodecanoyl chloride

: 472-61-7
(3S,3'S)-astaxanthin

: astaxanthin didodecanoate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃;	73%

: 472-61-7
(3S,3'S)-astaxanthin

: 112-13-0
n-decanoyl chloride

: [(1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-decanoyloxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl] decanoate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 20℃;	69%

: 472-61-7
(3S,3'S)-astaxanthin

: 65-85-0
benzoic acid

: 4,4'-dioxo-β,β-carotene-3,3'-diyl dibenzoate

Conditions

Conditions	Yield
With Novozyme 435 In methanol; toluene at 37℃; for 6h; Darkness; Enzymatic reaction;	59%

: 472-61-7
(3S,3'S)-astaxanthin

: 99-94-5
p-Toluic acid

: 4,4'-dioxo-β,β-carotene-3,3'-diyl di(4-methylbenzoate)

Conditions

Conditions	Yield
With Novozyme 435 In methanol; toluene at 37℃; for 6h; Darkness; Enzymatic reaction;	58%

: 59-67-6
nicotinic acid

: 472-61-7
(3S,3'S)-astaxanthin

: 4,4'-dioxo-β,β-carotene-3,3'-diyl di(pyridine-3-carboxylate)

Conditions

Conditions	Yield
With Novozyme 435 In methanol; toluene at 37℃; for 6h; Darkness; Enzymatic reaction;	57%

: 472-61-7
(3S,3'S)-astaxanthin

: 7693-46-1
4-Nitrophenyl chloroformate

: C54H58N2O12

Conditions

Conditions	Yield
Stage #1: (3S,3'S)-astaxanthin With n-butyllithium In tetrahydrofuran at -70℃; for 0.25h; Stage #2: 4-Nitrophenyl chloroformate In tetrahydrofuran at 20℃; for 8h;	56.1%

: 472-61-7
(3S,3'S)-astaxanthin

: 611-71-2, 611-72-3, 17199-29-0, 90-64-2
MANDELIC ACID

: 4,4'-dioxo-β,β-carotene-3,3'-diyl di(2-hydroxy-2-phenylethanoate)

Conditions

Conditions	Yield
With Novozyme 435 In methanol; toluene at 37℃; for 6h; Darkness; Enzymatic reaction;	55%

: 472-61-7
(3S,3'S)-astaxanthin

: 60760-95-4
(3R,3'R)-3,3′-dihydroxy-β,β′-caroten-4,4′-dione

: 71772-51-5
(3R,3'S)-3,3′-dihydroxy-β,β′-caroten-4,4′-dione

: 61319-45-7
N-(all-trans-Retinoyl)-imidazole

A: 34026-74-9, 58769-83-8
astacene

B: (3R,3'S)-astaxanthin monoretinoate

Conditions

Conditions	Yield
With pyridine; sodium hydride at 20℃; for 3h;	A 50% B 5%

...Expand

: 114682-36-9, 14218-11-2, 14218-30-5, 61198-88-7, 108438-33-1, 108836-02-8, 127305-34-4, 151377-77-4
β-1-bromo-2,3,4,6-tetra-O-benzoyl-α-D-glucopyranoside

: 472-61-7
(3S,3'S)-astaxanthin

: 1010099-33-8
C108H104O22

Conditions

Conditions	Yield
With 4 A molecular sieve; silver trifluoromethanesulfonate In dichloromethane at 0℃; for 2h;	31%

: 472-61-7
(3S,3'S)-astaxanthin

A: 9-Z-3,3′-dihydroxy-4,4′-dione-β,β′-carotene

B: 13-Z-3,3′-dihydroxy-4,4′-dione-β,β′-carotene

Conditions

Conditions	Yield
With iodine-doped titanium dioxide In ethyl acetate at 70℃; for 2h; Reagent/catalyst; Temperature; Solvent;	A 22.7% B 16.9%
In acetone; Petroleum ether at 70℃; for 12h;
With I-TiO2 In ethyl acetate at 70℃; for 2h;

: 472-61-7
(3S,3'S)-astaxanthin

: (E)-2-((3-(thiazolidin-3-yl)propyl)imino)acetic acid

A: C48H64N2O5S

B: C56H76N4O6S2

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 20℃; for 48h;	A 10.9% B 15.7%

...Expand

: 472-61-7
(3S,3'S)-astaxanthin

: (3S,3'S)-15,15'-cis-Astaxanthin

Conditions

Conditions	Yield
With hydrogen; Lindlar's catalyst In dichloromethane

: 472-61-7
(3S,3'S)-astaxanthin

: 39637-99-5
(-)-methoxytrifluoromethylphenylacetyl chloride

: 84432-72-4, 84518-14-9, 84518-16-1
C60H66F6O8

Conditions

Conditions	Yield
With pyridine at 0℃; for 0.75h; determination of enantiomeric composition of partly racemized carotenols by converting them in to diastereomeric esters, HPLC and NMR (in the presence of Eu(fod)3 shift reagent) analysis;

: 472-61-7
(3S,3'S)-astaxanthin

: 39637-74-6, 104530-16-7
(-)-camphanic acid chloride

: C60H76O10

Conditions

Conditions	Yield
With pyridine at 0℃; for 0.666667h;

: 472-61-7
(3S,3'S)-astaxanthin

: 6094-35-5, 28082-20-4
3,4,3',4'-tetrahydroxy-β,β-carotene

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol

: 472-61-7
(3S,3'S)-astaxanthin

A: (3S,3'S)-astaxanthin monosulfate

B: (3S,3'S)-astaxanthin disulfate

Conditions

Conditions	Yield
With pyridine; chlorosulfonic acid for 2.5h; Ambient temperature; Yield given;

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.

Product Name

Astaxanthin

Synthetic route

Astaxanthin Specification

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