Food orange 7

Base Information

• Chemical Name: Food orange 7
• CAS No.: 1109-11-1
• Molecular Formula: C32H44 O2
• Molecular Weight: 460.7
• European Community (EC) Number: 214-173-7
• DSSTox Substance ID: DTXSID901015586
• Nikkaji Number: J217.223B
• Wikipedia: Food_orange_7
• Wikidata: Q423869
• Mol file: 1109-11-1.mol

Synonyms:Food orange 7;1109-11-1;Ethyl 8'-apo-beta-caroten-8'-oate;EINECS 214-173-7;ethyl (2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenoate;CI 40825;Ethyl 8'-apo-caroten-8'-oate;8'-Apo-beta, psi-carotenoid acid, ethyl ester;ETHYL BETA-APO-8'-CAROTENOATE (TRANS);beta-Apo-8'-carotenoic acid, ethyl ester;ETHYL BETA-APO-8/'-CAROTENOATE (TRANS);(2E,4E,6E,8E,10E,12E,14E,16E)-Ethyl 2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohex-1-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenoate;Ethyl 8'-apo-beta, psi-carotenoate;starbld0001505;Color Index No. 40825;Color Index Number 40825;Colour Index No. 40825;Colour Index Number 40825;Ethyl beta-apo-8'-carotenoate;SCHEMBL10429279;DTXSID901015586;C32H44O2;b-Apo-8'-carotenic acid, ethyl ester;C32-H44-O2;Ethyl 8'-apo-.beta.-caroten-8'-oate;Ethyl 8/'-apo-beta-caroten-8/'-oate;C.I. 40825;Q423869;8'-Apo-.beta.,.psi.-carotenoic acid, ethyl ester;W-109635;8'-Apo-.beta.,.pseudo.-carotenoic acid, ethyl ester;CAROTENOATE, ETHYL, 8'-APO-.BETA., .PSI.-;8'-Apo-.beta.-carotenoic acid, ethyl ester, all-trans-;2,4,6,8,10,12,14,16-Heptadecaoctaenoic acid, 2,6,11,15-tetramethyl-17-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, ethyl ester, (2E,4E,6E,8E,10E,12E,14E,16E)-

Chemical Property of Food orange 7

Chemical Property:

• Melting Point: 134-136 °C
• Boiling Point: 589.5°Cat760mmHg
• Flash Point: 338.3°C
• PSA: 26.30000
• Density: 0.963g/cm³
• LogP: 9.08610
• Storage Temp.: −20°C
• XLogP3: 10.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 460.334130642
• Heavy Atom Count: 34
• Complexity: 967

Purity/Quality:

99.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C)C)C
• Isomeric SMILES: CCOC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C)/C)/C
• Uses: Ethyl 8''-apo-β-caroten-8''-oate is an antioxidant β-carotene (C184250) found in marigold flowers and oranges. It is also used as an organic dye in cosmetics.

Technology Process of Food orange 7

There total 12 articles about Food orange 7 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(E)-3-methylpent-2-en-4-yn-1-ol (6153-06-6,105-29-3) → trans-apo-8'-carotenic acid ethyl ester (1109-11-1)

Guidance literature:

Multi-step reaction with 6 steps

1: (i) EtMgBr, (ii) /BRN= 605384/

2: H₂, pyridin-3-yl-methanol / Lindlar catalyst / ethanol; petroleum ether

3: aq. HCl / diethyl ether

4: NaOEt / benzene / 5 h / 5 °C

5: MnO₂ / diethyl ether

6: (i) NaOEt, (ii) I₂

With 3-hydroxymethylpyridin; hydrogenchloride; manganese(IV) oxide; hydrogen; sodium ethanolate; Lindlar's catalyst; In diethyl ether; ethanol; Petroleum ether; benzene;

Reference yield:

(E)-6,6-diethoxy-3-methyl-hex-2-en-4-yn-1-ol (1069-94-9) → trans-apo-8'-carotenic acid ethyl ester (1109-11-1)

Guidance literature:

Multi-step reaction with 5 steps

1: H₂, pyridin-3-yl-methanol / Lindlar catalyst / ethanol; petroleum ether

2: aq. HCl / diethyl ether

3: NaOEt / benzene / 5 h / 5 °C

4: MnO₂ / diethyl ether

5: (i) NaOEt, (ii) I₂

With 3-hydroxymethylpyridin; hydrogenchloride; manganese(IV) oxide; hydrogen; sodium ethanolate; Lindlar's catalyst; In diethyl ether; ethanol; Petroleum ether; benzene;

Reference yield:

2,6-dimethyl-8-hydroxy-2,4,6-octatrien-1-oic acid ethyl ester (5095-40-9) → trans-apo-8'-carotenic acid ethyl ester (1109-11-1)

Guidance literature:

Multi-step reaction with 2 steps

1: MnO₂ / diethyl ether

2: (i) NaOEt, (ii) I₂

With manganese(IV) oxide; In diethyl ether;

upstream raw materials:

2,6-dimethyl-8-oxo-2,4,6-octatrien-1-oic acid ethyl ester

Retinyltriphenylphosphonium Chloride

1-[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraene-1-sulfonyl]-4-phenoxy-benzene

8-Brom-2,6-dimethyl-octa-2,4,6-trien-1-saeure-ethylester

Downstream raw materials:

1-(β-apo-8'-carotenoyl)glycerol

trans-8'-apo-β-caroten-8'-oic acid

all-trans-β-apo-8'-Carotenol

Refernces