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7542-45-2

Basic Information
CAS No.: 7542-45-2
Name: ASTAXANTHIN
Article Data: 23
Molecular Structure:
Molecular Structure of 7542-45-2 (ASTAXANTHIN)
Formula: C40H52O4
Molecular Weight: 596.85
Synonyms: OVEOSTER;AXN;3,3-DIHYDROXY-B,B-CAROTENE-4,4-DIONE;3,3-DIHYDROXY-B,B-CAROTENE-4,4-DIONE;3,3-dihydro-beta,beta-carotene-4,4-dione;.beta.,.beta.-Carotene-4,4-dione, 3,3-dihydroxy-;Einecs 231-424-6;3,3-Dihydroxy-beta-carotene-4,4-dione
EINECS: 231-424-6
Density: 1.071 g/cm3
Boiling Point: 774 °C at 760 mmHg
Flash Point: 435.8 °C
PSA: 74.60000
LogP: 8.90540
Synthetic route
5056-17-7

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

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

7542-45-2

3,3'-dihydroxy-β,β-carotene-4,4'-dione

Conditions
ConditionsYield
Stage #1: (2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial; [(4E)-5-(4-hydroxy-2,6,6-trimethyl-3-oxo-1-cyclohexen-1-yl)-3-methyl-2,4-pentadienyl]-triphenylphosphonium bromide With ethyloxirane In isopropyl alcohol for 18h; Heating / reflux;
Stage #2: In dichloromethane Heating / reflux;
80%
In various solvent(s) at 63℃; for 20h; Condensation; Wittig reaction;55%
With ethyloxirane at 63℃; for 20h;54.7%
astaxanthin esters

astaxanthin esters

538-23-8

tricaprilin

A

astaxanthin octanoic acid monoester

B

7542-45-2

3,3'-dihydroxy-β,β-carotene-4,4'-dione

C

di-O-octanoyl-all-trans-astaxanthin

Conditions
ConditionsYield
lipase PL (from Alcaligenes) In water at 45℃; for 72h; Product distribution / selectivity; Enzymatic reaction;A 4%
B 79.3%
C 1%
immobilized lipase In water at 45℃; for 96h; Product distribution / selectivity; Enzymatic reaction;A 12.2%
B 64%
C 1%
immobilized lipase of Phenyl Toyopearl In water at 45℃; for 96h; Product distribution / selectivity; Enzymatic reaction;A 14.1%
B 61.6%
C 2.8%
5056-17-7

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

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

A

7542-45-2

3,3'-dihydroxy-β,β-carotene-4,4'-dione

B

106776-90-3

semi-astacene

C

791-28-6

Triphenylphosphine oxide

Conditions
ConditionsYield
Stage #1: (2E,4E,6E)-2,7-dimethyl-2,4,6-octatrienedial; [(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; dichloromethane at -5℃; for 19.6 - 20.5h;
Stage #2: With acetic acid In methanol; dichloromethane Product distribution / selectivity;
A 75.8%
B n/a
C n/a
538-23-8

tricaprilin

astaxanthin oleic acid diester

A

astaxanthin octanoic acid monoester

B

7542-45-2

3,3'-dihydroxy-β,β-carotene-4,4'-dione

C

di-O-octanoyl-all-trans-astaxanthin

Conditions
ConditionsYield
lipase OF (from Candida) In water at 45℃; for 240h; Product distribution / selectivity; Enzymatic reaction;A 27.2%
B 72.8%
C 1%
144-68-3

zeaxanthin

7542-45-2

3,3'-dihydroxy-β,β-carotene-4,4'-dione

Conditions
ConditionsYield
With sodium bromate; sodium hydrogensulfite In chloroform at 20 - 30℃; for 3h;72.14%
With sodium bromate; sodium hydrogensulfite In chloroform for 0.5h;51%
124-07-2

Octanoic acid

astaxanthin oleic acid diester

A

astaxanthin octanoic acid monoester

B

7542-45-2

3,3'-dihydroxy-β,β-carotene-4,4'-dione

C

di-O-octanoyl-all-trans-astaxanthin

Conditions
ConditionsYield
lipase OF (from Candida) In water at 45℃; for 72h; Product distribution / selectivity; Enzymatic reaction;A 8.2%
B 61.1%
C 1%
astaxanthin esters

astaxanthin esters

124-07-2

Octanoic acid

A

astaxanthin octanoic acid monoester

B

7542-45-2

3,3'-dihydroxy-β,β-carotene-4,4'-dione

C

di-O-octanoyl-all-trans-astaxanthin

Conditions
ConditionsYield
lipase OF (from Candida) In water at 45℃; for 72h; Product distribution / selectivity; Enzymatic reaction;A 10.5%
B 42.6%
C 1%
immobilized lipase In water at 45℃; for 96h; Product distribution / selectivity; Enzymatic reaction;A 2%
B 23.6%
C 1%
astaxanthin esters

astaxanthin esters

538-23-8

tricaprilin

A

astaxanthin octanoic acid monoester

B

7542-45-2

3,3'-dihydroxy-β,β-carotene-4,4'-dione

Conditions
ConditionsYield
immobilized lipase In hexane; water at 45℃; for 72h; Product distribution / selectivity; Enzymatic reaction;A 1%
B 15.2%

astaxanthin cation radical

7542-45-2

3,3'-dihydroxy-β,β-carotene-4,4'-dione

Conditions
ConditionsYield
With TX-100 In water Rate constant; Irradiation;
502-65-8

lycopene

astaxanthin cation radical

A

7542-45-2

3,3'-dihydroxy-β,β-carotene-4,4'-dione

B

lycopene radical cation

Conditions
ConditionsYield
In benzene Rate constant; pulse radiolysis;
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472-61-7
71772-51-5
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    CAS NO:7542-45-2 ASTAXANTHIN

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    Wuhan New-Rise biochem Co.,Ltd. is a leading provider and manufacturer of pharmaceutical and chemical products. We are dedicated in providing a wide variety of quality API, pharm

  • Wuhan New-Rise Biochem Co,. Ltd

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-13667132959

    Address:Wuhan

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  • Astaxanthin

  • Casno:

    7542-45-2

    Astaxanthin

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    At Share Chemical Company, we scrupulously abide by our policy of “Excellent Quality at a Reasonable Price”. We strive to satisfy all of our customers by providing the finest quality products supported by the finest in customer servi

    Share Chemical Co., Ltd. is an innovative chemical producer engaged in the production of organic specialty chemicals, pharmaceuticals, and fine chemicals of high purity for product

  • Hangzhou Share Chemical Co., Ltd

    China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:+86-57187093700

    Address:Hang Xing Road

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  • Astaxanthin (Synthetic)

  • Casno:

    7542-45-2

    Astaxanthin (Synthetic)

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    The system can just identify the products information in first sheet, it is not be permitted to add or edit new sheet by userself.Our products are required in MG to Gram only. · Pharmaceutical Reference Standards· Traceable workin

    SimSon Pharma, a renowned name in pharmaceutical sector, has built high its reputation as a complete solution provider in contract research arena. We are a JAS/ANZ ISO 9001:2015 Ce

  • Simson Pharma Limited

    India  |  Contact Details

    Business Type:Manufacturers

    Tel:+91-22-40068689/ 40148689

    Address:Near Dahisar Toll Naka

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  • 3,3'-dihydroxy-β,β-carotene-4,4'-dione

  • Casno:

    7542-45-2

    3,3'-dihydroxy-β,β-carotene-4,4'-dione

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    3,3'-dihydroxy-β,β-carotene-4,4'-dione Storage:keep in dry and cool condition Package:25kg or according to cutomer's demand Application:Chemical research/pharma intermediate Transportation:By Sea,by Air,By courier like DHL or Fedx. Port:Shanghai/Shen

    Nanjing Raymon Biotech Co., Ltd. is specialized in developing and marketing middle & high level pharmaceutical intermediates. We are supplying different categories of high-quality

  • Nanjing Raymon Biotech Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:86-025-52181296

    Address:Block B, No. 918, Shuanglong Avenue

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  • 7542-45-2

  • Casno:

    7542-45-2

    7542-45-2

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Supply top quality products with a reasonable price Application:api

    Hebei Ruishun Trade Co.,Ltd registered capital one million, we have a production of pharmaceutical raw materials, pharmaceutical raw materials factory reagent r&d center, we do

  • Hebei Ruishun Trade Co.,Ltd

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-311-68037669

    Address:WanDa commerce building ,yuhua district

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  • Astaxanthin

  • Casno:

    7542-45-2

    Astaxanthin

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    7542-45-2

    Alkermes is a leader in innovative medicines that address the unmet needs and challenges of people living with debilitating diseases. As a fully integrated global biopharmaceutical

  • ALKERMES

    Bulgaria  |  Contact Details

    Business Type:Trading Company

    Tel:359-562-8569557

    Address:Negovan

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  • 3,3'-dihydroxy-β,β-carotene-4,4'-dione

  • Casno:

    7542-45-2

    3,3'-dihydroxy-β,β-carotene-4,4'-dione

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    3,3'-dihydroxy-β,β-carotene-4,4'-dioneAppearance:Off white to slight yellow solid Storage:Stored in shaded, cool and dry places Package:1L 5L 10L 25L bottle Application:pharma intermediate Transportation:Handle with cares to avoid damaging the packag

  • Chemical Co.Ltd

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

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  • Astaxanthin

  • Casno:

    7542-45-2

    Astaxanthin

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Astaxanthin

    Our company was founded 1977 in Bremen by Wilhelm J. Beckmann. Now situated in Bassum/Germany we also have our own office in Shanghai/China. Acting

  • Beckmann Chemikalien KG

    Germany  |  Contact Details

    Business Type:Trading Company

    Tel:+49 4241 9308 0

    Address:Auf dem Scheunenbrink 8 27211 Bassum

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Specification

The 3,3'-Dihydroxy-β,β-carotene-4,4'-dione with CAS registry number of 7542-45-2 is also called Astaxanthin. Its IUPAC name is 6-Hydroxy-3-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one,and systematic name is called 3,3'-Dihydroxy-β,β-carotene-4,4'-dione. Its EINECS registry number is 231-424-6.

Physical properties about 3,3'-Dihydro-beta,beta-carotene-4,4'-dione are: (1)ACD/LogP:  9.526; (2)# of Rule of 5 Violations:  2  ; (3)ACD/LogD (pH 5.5):  9.53; (4)ACD/LogD (pH 7.4):  9.53; (5)ACD/BCF (pH 5.5):  1000000.00; (6)ACD/BCF (pH 7.4):  1000000.00; (7)ACD/KOC (pH 5.5):  3625797.00; (8)ACD/KOC (pH 7.4):  3625797.00; (9)#H bond acceptors:  2; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  10; (12)Index of Refraction:  1.575; (13)Molar Refractivity:  186.196 cm3; (14)Molar Volume:  563.125 cm3; (15)Surface Tension:  39.3440017700195 dyne/cm; (16)Density:  1.003 g/cm3; (17)Flash Point:  253.949 °C; (18)Enthalpy of Vaporization:  104.774 kJ/mol; (19)Boiling Point:  716.954 °C at 760 mmHg; (20)Vapour Pressure:  0 mmHg at 25°C.

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)Std. InChI:InChI=1S/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)Std. InChIKey:FDSDTBUPSURDBL-DKLMTRRASA-N.