Canthaxanthin supplier | CasNO.514-78-3

Name
Canthaxanthin
EINECS 208-187-2
CAS No. 514-78-3
Article Data46
CAS DataBase
Density 1.003 g/cm³
Solubility
Melting Point 217～218℃
Formula C₄₀H₅₂O₂
Boiling Point 717 °C at 760 mmHg
Molecular Weight 564.852
Flash Point 253.9 °C
Transport Information
Appearance purple to reddish-violet
Safety
Risk Codes R25; R36/37/38
Molecular Structure
Hazard Symbols
Synonyms b-Carotene-4,4'-dione (6CI);b-Carotene-4,4'-dione, all-trans-(8CI);4,4'-Diketo-b-carotene;4,4'-Dioxo-b-carotene;C.I. 40850;C.I. Food Orange 8;Carophyll red;E 161g;Food Orange 8;Lucantin Red;NSC 374110;Roxanthin Red10;all-trans-Canthaxanthin;
PSA 34.14000
LogP 10.96380

Synthetic route

: 7235-40-7
beta-carotene

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
With cerium(IV) oxide; sulfuric acid; potassium iodide In dichloromethane; water at 0℃; under 760.051 Torr; for 2.5h; Reagent/catalyst; Temperature; UV-irradiation;	99.5%
With sulfuric acid; copper(II) sulfate; potassium iodide In dichloromethane; water at -5 - 45℃; under 760.051 Torr; for 4h; Temperature; Reagent/catalyst; Green chemistry;	98.05%
With dihydrogen peroxide; potassium iodide; lithium hydroxide In dichloromethane; water at -5 - 45℃; under 760.051 Torr; for 5.5h; Catalytic behavior; Temperature; Reagent/catalyst; Green chemistry;	98.05%

: 161023-01-4
β-carotene

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
With Aminoiminomethanesulfinic acid In dichloromethane; water at 20 - 40℃; for 17h; Temperature; Industrial scale;	94.66%

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

: C19H31O4P

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
With sodium t-butanolate In dimethyl sulfoxide; toluene at -20℃; for 6h; Reagent/catalyst; Temperature; Solvent;	92.1%

: 7,8,7',8'-tetrahydro-8,8'-dimethoxy-canthaxanthin

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
With sodium hydroxide; hydrogen bromide In n-heptane; dichloromethane	82%

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

: 63184-93-0
(2E,4E)-<5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadien-1-yl>triphenylphosphonium bromide

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
With sodium methylate In methanol; dichloromethane at -10℃; for 1h;	78%

aqueous sodium chloride: aqueous sodium chloride

: 3-methyl-5-(2,6,6-trimethyl-3-oxocyclohex-1-enyl)-2,4-pentadienylphosphonic acid, diethyl ester

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

: 71-43-2
benzene

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran; chloroform	52%

...Expand

: 128-08-5
N-Bromosuccinimide

: 92-53-5
4-Phenylmorpholine

: 64-17-5
ethanol

: 67-66-3
chloroform

: 7235-40-7
beta-carotene

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
at -18℃; Reaktion ueber mehrere Stufen;

...Expand

: 105819-60-1
5,6;5',6'-diseco-β,β-carotene-4,6,4',6'-tetraone

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
With potassium hydroxide; benzene

: 3297-24-3, 16962-72-4, 71629-79-3
4',5'-didehydro-4,5'-retro-β,β-carotene

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
(i) NBS, AcOH, PhNMe2, (ii) KOH, MeOH, benzene; Multistep reaction;

: all-trans canthaxanthin radical cation

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
With TX-100 In water Rate constant; Irradiation;
With puerarin dianion In methanol; chloroform at 25℃; Thermodynamic data; Kinetics; Reagent/catalyst;

: 502-65-8
lycopene

: all-trans canthaxanthin radical cation

A: 514-78-3
canthaxanthin

B: lycopene radical cation

Conditions

Conditions	Yield
In benzene Rate constant; pulse radiolysis;

...Expand

: 7235-40-7
beta-carotene

: all-trans canthaxanthin radical cation

A: 514-78-3
canthaxanthin

B: all-trans β-carotene radical cation

Conditions

Conditions	Yield
In benzene Rate constant; pulse radiolysis;

...Expand

β,β-carotene-4,4'-diol: β,β-carotene-4,4'-diol

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
With 1,2,3,4-tetrahydro-1-naphthyl hydroperoxide

: 105819-60-1
5,6;5',6'-diseco-β,β-carotene-4,6,4',6'-tetraone

: 71-43-2
benzene

methanol. KOH-solution: methanol. KOH-solution

: 514-78-3
canthaxanthin

...Expand

: 128-08-5
N-Bromosuccinimide

: 64-17-5
ethanol

: 67-66-3
chloroform

: 7235-40-7
beta-carotene

1-ethyl-morpholine: 1-ethyl-morpholine

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
Reaktion ueber mehrere Stufen;

...Expand

: 67-66-3
chloroform

: 771-29-9
1,2,3,4-tetrahydro-1-naphthyl hydroperoxide

: 7235-40-7
beta-carotene

A: 514-78-3
canthaxanthin

B: 991-90-2
3',4'-didehydro-β,β-caroten-4-one

C β,β-carotene-4,4'-diol: β,β-carotene-4,4'-diol

D β,β-caroten-4-one: β,β-caroten-4-one

...Expand

4'-ethoxy-β,β-caroten-4-one: 4'-ethoxy-β,β-caroten-4-one

A: 514-78-3
canthaxanthin

B: 4'-ethoxy-3',4'-didehydro-β,β-caroten-4-one

Conditions

Conditions	Yield
With N-Bromosuccinimide; chloroform beim anschliessenden Behandeln mit 4-Phenyl-morpholin;

: C40H51O2(1+)

A: 514-78-3
canthaxanthin

B ascorbic acid radical: ascorbic acid radical

Conditions

Conditions	Yield
With triton X100; ascorbic acid In methanol Rate constant; pH 7;

: 2,4,4-Trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-cyclohex-1-enyl)-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-cyclohex-2-enyl-oxonium

A: 9-cis-β,β-caroten-4,4'-diol

B: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
With water In acetone

: C40H56(2+)

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 18 percent / H2O / acetone 2: NaBH4 3: CF3COOH / CH2Cl2 / 0.17 h / -20 °C 4: H2O / acetone View Scheme
Multi-step reaction with 6 steps 1: 18 percent / H2O / acetone 2: NaBH4 3: CF3COOH / CH2Cl2 / 0.17 h / -20 °C 4: 19 percent / acetone 5: H2O / acetone View Scheme

: 2,4,4-Trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-cyclohex-1-enyl)-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-cyclohex-2-enyl-oxonium

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 19 percent / acetone 2: H2O / acetone View Scheme

: 846539-06-8
4'-acetylthio-β,β-carotene

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: H2O / acetone View Scheme

: 106356-06-3, 125377-14-2, 125472-27-7, 2213-17-4
4'-hydroxy-β,β-caroten-4-one

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: NaBH4 2: CF3COOH / CH2Cl2 / 0.17 h / -20 °C 3: H2O / acetone View Scheme
Multi-step reaction with 5 steps 1: NaBH4 2: CF3COOH / CH2Cl2 / 0.17 h / -20 °C 3: 19 percent / acetone 4: H2O / acetone View Scheme

4,4'-diacetoxy-β,β-carotene: 58540-69-5
4,4'-diacetoxy-β,β-carotene

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: CF3COOH / CH2Cl2 / -10 °C 2: H2O / acetone View Scheme

: 29065-03-0, 68538-97-6, 84142-78-9, 84518-15-0, 106037-10-9, 125472-26-6, 21940-25-0
isozeaxanthin

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: CF3SO3H / CH2Cl2 / -15 °C 2: 18 percent / H2O / acetone 3: NaBH4 4: CF3COOH / CH2Cl2 / 0.17 h / -20 °C 5: H2O / acetone View Scheme
Multi-step reaction with 7 steps 1: CF3SO3H / CH2Cl2 / -15 °C 2: 18 percent / H2O / acetone 3: NaBH4 4: CF3COOH / CH2Cl2 / 0.17 h / -20 °C 5: 19 percent / acetone 6: H2O / acetone View Scheme
Multi-step reaction with 2 steps 1: CF3COOH / CH2Cl2 / 0.17 h / -20 °C 2: H2O / acetone View Scheme

: 6153-06-6
(E)-3-methylpent-2-en-4-yn-1-ol

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1: 92 percent / p-toluenesulfonic acid / 1.) 5 deg C, 2.) RT, 10 min 2: 1.) n-BuLi / 1.) ether, hexane, RT, 15 min, 2.) 22 deg C, 1 h 3: 72 percent / H2, potassium carbonate / Lindlar catalyst / toluene / 3 h / 20 °C / 760 Torr 4: PBr3 / diethyl ether / 0.08 h / Ambient temperature 5: 69 percent / benzene / Heating 6: 78 percent / NaOCH3 / CH2Cl2; methanol / 1 h / -10 °C View Scheme

Yield

Multi-step reaction with 6 steps
1: 92 percent / p-toluenesulfonic acid / 1.) 5 deg C, 2.) RT, 10 min
2: 1.) n-BuLi / 1.) ether, hexane, RT, 15 min, 2.) 22 deg C, 1 h
3: 72 percent / H2, potassium carbonate / Lindlar catalyst / toluene / 3 h / 20 °C / 760 Torr
4: PBr3 / diethyl ether / 0.08 h / Ambient temperature
5: 69 percent / benzene / Heating
6: 78 percent / NaOCH3 / CH2Cl2; methanol / 1 h / -10 °C
View Scheme

: 1629-58-9
4-penten-3-one

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 8 steps 1: 1.) LDA / 1.) THF, hexane, -60 deg C, 90 min, 2.) a) 3 min, b) RT, 2 h 2: 85 percent / NaH / methanol / 3 h / Heating 3: 91 percent / p-toluenesulfonic acid / benzene / 3 h / Heating 4: 1.) n-BuLi / 1.) ether, hexane, RT, 15 min, 2.) 22 deg C, 1 h 5: 72 percent / H2, potassium carbonate / Lindlar catalyst / toluene / 3 h / 20 °C / 760 Torr 6: PBr3 / diethyl ether / 0.08 h / Ambient temperature 7: 69 percent / benzene / Heating 8: 78 percent / NaOCH3 / CH2Cl2; methanol / 1 h / -10 °C View Scheme

Yield

Multi-step reaction with 8 steps
1: 1.) LDA / 1.) THF, hexane, -60 deg C, 90 min, 2.) a) 3 min, b) RT, 2 h
2: 85 percent / NaH / methanol / 3 h / Heating
3: 91 percent / p-toluenesulfonic acid / benzene / 3 h / Heating
4: 1.) n-BuLi / 1.) ether, hexane, RT, 15 min, 2.) 22 deg C, 1 h
5: 72 percent / H2, potassium carbonate / Lindlar catalyst / toluene / 3 h / 20 °C / 760 Torr
6: PBr3 / diethyl ether / 0.08 h / Ambient temperature
7: 69 percent / benzene / Heating
8: 78 percent / NaOCH3 / CH2Cl2; methanol / 1 h / -10 °C
View Scheme

: 64095-45-0
2,2-dimethyl-5-oxo-heptanoic acid methyl ester

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1: 85 percent / NaH / methanol / 3 h / Heating 2: 91 percent / p-toluenesulfonic acid / benzene / 3 h / Heating 3: 1.) n-BuLi / 1.) ether, hexane, RT, 15 min, 2.) 22 deg C, 1 h 4: 72 percent / H2, potassium carbonate / Lindlar catalyst / toluene / 3 h / 20 °C / 760 Torr 5: PBr3 / diethyl ether / 0.08 h / Ambient temperature 6: 69 percent / benzene / Heating 7: 78 percent / NaOCH3 / CH2Cl2; methanol / 1 h / -10 °C View Scheme

Yield

Multi-step reaction with 7 steps
1: 85 percent / NaH / methanol / 3 h / Heating
2: 91 percent / p-toluenesulfonic acid / benzene / 3 h / Heating
3: 1.) n-BuLi / 1.) ether, hexane, RT, 15 min, 2.) 22 deg C, 1 h
4: 72 percent / H2, potassium carbonate / Lindlar catalyst / toluene / 3 h / 20 °C / 760 Torr
5: PBr3 / diethyl ether / 0.08 h / Ambient temperature
6: 69 percent / benzene / Heating
7: 78 percent / NaOCH3 / CH2Cl2; methanol / 1 h / -10 °C
View Scheme

: 127-41-3, 6901-97-9, 14398-36-8, 24190-29-2, 30685-95-1, 31798-12-6, 52340-45-1, 67529-94-6, 67529-95-7
alpha-ionone

: 514-78-3
canthaxanthin

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 1.) sodium acetate, peracetic acid, 2.) NaOCH3 / 1.) dichloromethane, acetic acid, a) 15 deg C, 2,5 h, b) RT, 3 h, 2.) methanol, reflux, 3 h 2: tetrahydrofuran / 0.5 h / 10 °C 3: aluminum isopropoxide / acetone; CH2Cl2 / 5 h / Heating 4: CH2Cl2 / 1 h / Ambient temperature 5: 78 percent / NaOCH3 / CH2Cl2; methanol / 1 h / -10 °C View Scheme
Multi-step reaction with 6 steps 1: 1.) sodium acetate, peracetic acid, 2.) NaOCH3 / 1.) dichloromethane, acetic acid, a) 15 deg C, 2,5 h, b) RT, 3 h, 2.) methanol, reflux, 3 h 2: tetrahydrofuran / 0.5 h / 10 °C 3: aluminum isopropoxide / acetone; CH2Cl2 / 5 h / Heating 4: PBr3 / diethyl ether / 1 h / Ambient temperature 5: benzene / 1.5 h / Heating 6: 78 percent / NaOCH3 / CH2Cl2; methanol / 1 h / -10 °C View Scheme
Multi-step reaction with 6 steps 1.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 1 h 2.1: sodium methylate / methanol / 3 h / Reflux 3.1: sodium methylate / toluene / 3.5 h 4.1: sodium ethanolate / ethanol / 25 °C / Inert atmosphere 5.1: potassium tert-butylate / tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide / 5.5 h / Inert atmosphere 5.2: 2.58 h / -25 - 25 °C / Inert atmosphere 6.1: aluminum isopropoxide / acetone / 5 h / Reflux; Inert atmosphere 6.2: 10 h / 80 °C / Inert atmosphere View Scheme

: 514-78-3
canthaxanthin

: 1126-58-5
girard's reagent P

: (GRP)2-canthaxanthin

Conditions

Conditions	Yield
With hydrogenchloride In methanol; chloroform	34%

: 514-78-3
canthaxanthin

: 4'-thioxo-β,β-caroten-4-one

Conditions

Conditions	Yield
With Lawessons reagent In benzene at 40℃; for 4h;	22%
With Lawessons reagent In carbon disulfide for 4h; Inert atmosphere; Reflux;

: 514-78-3
canthaxanthin

: 1332483-19-8
(2E,4EZ)-N-(4-hexyloxyphenyl)-3-methylhexa-2,4-dienamide

: 1332483-31-4
C37H49NO3

Conditions

Conditions	Yield
With Hoveyda-Grubbs catalyst second generation In toluene at 20℃; for 24h; Inert atmosphere; diastereoselective reaction;	17%

: 514-78-3
canthaxanthin

: 106356-06-3, 125377-14-2, 125472-27-7, 2213-17-4
4'-hydroxy-β,β-caroten-4-one

Conditions

Conditions	Yield
With tellurium; sodium tetrahydroborate In carbon disulfide; ethanol at 40℃; for 0.5h;	5%
Multi-step reaction with 3 steps 1: NaBH4 2: CF3SO3H / CH2Cl2 / -15 °C 3: 18 percent / H2O / acetone View Scheme
With sodium tetrahydroborate

: 514-78-3
canthaxanthin

: 11,15'-dihydrooxepino-β,β-carotene-4,4'-dione

Conditions

Conditions	Yield
With 18-crown-6 ether; sodium 3-chlorobenzoate; 3-chloro-benzenecarboperoxoic acid In dichloromethane at -20℃; for 30h;	2%

: 514-78-3
canthaxanthin

: 13,14-trans-canthaxanthin-13,14-ozonide

: 13,14-cis-canthaxanthin-13,14-ozonide

Conditions

Conditions	Yield
With 18-crown-6 ether; tert-butyl methyl ether; sodium 3-chlorobenzoate; 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 30h;	A 0.2% B 1%

: 514-78-3
canthaxanthin

: 29065-03-0, 68538-97-6, 84142-78-9, 84518-15-0, 106037-10-9, 125472-26-6, 21940-25-0
isozeaxanthin

Conditions

Conditions	Yield
With lithium aluminium tetrahydride
With sodium tetrahydroborate In ethanol
With lithium aluminium tetrahydride In diethyl ether

: 514-78-3
canthaxanthin

: 13186-17-9, 81369-49-5
6,5'-retro-5,6-dihydro-β,β-carotene-4,4'-dione

Conditions

Conditions	Yield
With acetic acid; zinc In pyridine

: 514-78-3
canthaxanthin

A: 113301-77-2
C40H52O2(2+)

B: 113349-54-5
C40H52O2(1+)

Conditions

Conditions	Yield
Equilibrium constant; Rate constant; electrolysis;

: 514-78-3
canthaxanthin

A: all-trans canthaxanthin radical cation

B: Canthaxanthin dication

Conditions

Conditions	Yield
In dichloromethane electrooxidation, comproportionation equilibrium constants, deprotonation equilibrium constant;

: 514-78-3
canthaxanthin

: 50299-51-9
Phoeniconon

Conditions

Conditions	Yield
With potassium tert-butylate; oxygen

: 514-78-3
canthaxanthin

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

Conditions

Conditions	Yield
With potassium tert-butylate; oxygen

: 514-78-3
canthaxanthin

: all-trans canthaxanthin radical cation

Conditions

Conditions	Yield
With TX-100; trichloromethyl peroxyl In water Rate constant; Irradiation;

: 514-78-3
canthaxanthin

A: 32603-26-2
neocanthaxanthin-C

B: 101915-55-3
9-cis canthaxanthin

C: 514-78-3, 28999-90-8, 32603-26-2, 101915-53-1, 101915-54-2, 101915-55-3, 111058-45-8, 113349-54-5, 117857-54-2, 117857-55-3, 117857-56-4, 135969-90-3, 101915-56-4
13-cis canthaxanthin

D: C40H52O2

Conditions

Conditions	Yield
With tert-butylammonium hexafluorophosphate(V) In dichloromethane at 4℃; for 0.0833333h; Product distribution; Mechanism; electrolysis;
With iron(III) chloride In dichloromethane Product distribution; Mechanism;

...Expand

: 514-78-3
canthaxanthin

A: 101915-55-3
9-cis canthaxanthin

B: 514-78-3, 28999-90-8, 32603-26-2, 101915-53-1, 101915-54-2, 101915-55-3, 111058-45-8, 113349-54-5, 117857-54-2, 117857-55-3, 117857-56-4, 135969-90-3, 101915-56-4
13-cis canthaxanthin

Conditions

Conditions	Yield
With zinc(II) oxide In dichloromethane for 0.25h; Product distribution; Irradiation; also CdS and without semiconductors;

: 514-78-3
canthaxanthin

A: 11,15'-dihydrooxepino-β,β-carotene-4,4'-dione

B: 15'-formyl-15-nor-β,β-carotene-4,4'-dione

C: 12-formyl-11-nor-β,β-carotene-4,4'-dione

: (13RS,15SR)-15',13-epoxy-vinyleno-13,14'-dihydro-14,15-dinor-β,β-carotene-4,4'-dione

Conditions

Conditions	Yield
With 2,2'-azobis-(2,4-dimethylvaleronitrile) In benzene at 37℃; for 3h; Yield given; Further byproducts given. Yields of byproduct given;

...Expand

: 514-78-3
canthaxanthin

A: 15'-formyl-15-nor-β,β-carotene-4,4'-dione

B: 13,15'-epoxyvinyleno-13,15'-dihydro-14,15-dinor-β,β-carotene-4,4'-dione

C: 12-formyl-11-nor-β,β-carotene-4,4'-dione

: (13RS,15SR)-15',13-epoxy-vinyleno-13,14'-dihydro-14,15-dinor-β,β-carotene-4,4'-dione

Conditions

Conditions	Yield
With 2,2'-azobis-(2,4-dimethylvaleronitrile) In benzene at 37℃; for 3h; Yield given; Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;
With 2,2'-azobis-(2,4-dimethylvaleronitrile) In benzene at 37℃; for 3h; Yield given; Further byproducts given. Yields of byproduct given;

...Expand

Canthaxanthin Specification

The CAS registry number of Canthaxanthin is 514-78-3. Its EINECS registry number is 208-187-2. The IUPAC name is 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one. In addition, the molecular formula is C₄₀H₅₂O₂ and the molecular weight is 564.84. It is also called beta-carotene-4,4'-dione, all-trans-. What's more, it is a carotenoid pigment widely distributed in nature. It should be stored in sealed container, and put in a cool, ventilated and dry place. Moreover, keep it away from the fire and heat source, and avoid the direct sunlight.

Physical properties about this chemical are: (1)ACD/LogP: 10.69; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.69; (4)ACD/LogD (pH 7.4): 10.69; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 34.14 Å²; (12)Index of Refraction: 1.575; (13)Molar Refractivity: 186.19 cm³; (14)Molar Volume: 563.1 cm³; (15)Polarizability: 73.81 ×10^-24cm³; (16)Surface Tension: 39.3 dyne/cm; (17)Density: 1.003 g/cm³; (18)Flash Point: 253.9 °C; (19)Enthalpy of Vaporization: 104.77 kJ/mol; (20)Boiling Point: 717 °C at 760 mmHg; (21)Vapour Pressure: 2.09E-20 mmHg at 25°C.

Preparation of Canthaxanthin: It was first isolated in edible mushrooms. It has also been found in green algae, bacteria, crustaceans, and fish such as carp, golden mullet, seabream and trush wrasse. In addition, it can be prepared by (2E,4E,6E)-2,7-dimethyl-octa-2,4,6-trienedial and (2E,4E)-[5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadien-1-yl]triphenylphosphonium bromide. This reaction will need reagent NaOCH₃, and solvents CH₂Cl₂ and methanol. The reaction time is 1 hour at reaction temperature of -10 °C. The yield is about 78%.

Canthaxanthin can be prepared by (2E,4E,6E)-2,7-dimethyl-octa-2,4,6-trienedial and (2E,4E)-[5-(2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadien-1-yl]triphenylphosphonium bromide.

Uses of Canthaxanthin: it is used in farm-raised trout. And it also can be used in combination with astaxanthin for some salmon feeds. In addition, it can be used as an oral suntanning agent, a food and drug coloring agent, a feed and food additive.

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)CCC1(C)C)C)C)C)C)C)C(C)(C)CC2)C
(2)InChI: InChI=1/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21-,24-22+,29-15-,30-16+,31-19-,32-20+
(3)InChIKey: FDSDTBUPSURDBL-OQWFGLAJBT

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	86mg/kg/15W-I (86mg/kg)	SENSE ORGANS AND SPECIAL SENSES: "RETINAL CHANGES (PIGMENTARY DEPOSITIONS, RETINITIS, OTHER): EYE"	Medical Journal of Australia. Vol. 143, Pg. 622, 1985.
mouse	LD50	oral	10gm/kg (10000mg/kg)		Scientia Pharmaceutica. Vol. 47, Pg. 39, 1979.

Product Name

Canthaxanthin

Synthetic route

Canthaxanthin Specification

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