β-カロテン-4,4'-ジオン

Canthaxanthin

HCID 5281227
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基本情報

CAS
514-78-3
標準SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1=O
InChIKey
FDSDTBUPSURDBL-DKLMTRRASA-N
分子式
C40H52O2
平均分子量
564.8 g/mol
単同位体質量
564.3967309

概要

Canthaxanthin is a carotenone that consists of beta,beta-carotene bearing two oxo substituents at positions 4 and 4'. It has a role as a biological pigment, a fungal metabolite, an Escherichia coli metabolite and a food colouring. It derives from a hydride of a beta-carotene.

名称と識別子

優先名称
Canthaxanthin
IUPAC
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
現地名
β-カロテン-4,4'-ジオン
英語名
Canthaxanthin
分子式
C40H52O2
分子量
564.85

名称と別名

Canthaxanthin514-78-3CanthaxanthineOrobronzeCarophyll RedFood orange 8Roxanthin Red 104,4'-Dioxo-beta-caroteneDTXSID0022727CI 40850KANTAKISANTIN4C3C6403MU
名称をさらに表示
ロキサンチンレッド104,4'-ジオキソ-β,β-カロテンカンタキサンチン4,4'-ジケト-β-カロチンフードオレンジ8カロフィルレッドβ-カロテン-4,4'-ジオンオロブロンズβ,β-カロテン-4,4'-ジオンC.I.フードオレンジ8all-trans-β,β-カロテン-4,4'-ジオンカンタキサンチン標準品４，４’ジケトβカロチンALL-TRANS-カンタキサンチンカンタキサンチン (混合物)カンタキサンチン, TRANS- (IN SOLUTION)カンタキサンチン(TRANS)2,4,4-トリメチル-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-テトラメチル-18-(2,6,6-トリメチル-3-オキソシクロヘキサ-1-エン-1-イル)オクタデカ-1,3,5,7,9,11,13,15,17-ノナエン-1-イル]シクロヘキサ-2-エン-1-オンall-E-カンタキサンチン(7E,7′E,9E,9′E,11E,11′E,13E,13′E,15E)-β,β-カロテン-4,4′-ジオンcantaxanthincarophyllredE 161 GROXANTHINl-orange7AphanicinEuglenanone
NSC-374110INS NO.161GCHEBI:3362DTXCID002727INS-161GE-161GCI-(1975)NO.408502,4,4-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

データベース識別子

CAS
514-78-3
PubChem CID
5281227
DTXSID
DTXSID0022727
ChEMBL
CHEMBL1329004
ChEBI
CHEBI:3362
UNII
4C3C6403MU
EC Number
208-187-2
Nikkaji
J6.290A

物性

構造計算による物性

XLogP
11.4
極性表面積
34.1 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
10
重原子数
42

実験および物理化学的性質

LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C40 isoprenoids (tetraterpenes) [PR0107]
CosmeticsCosmetic colorant
SpringerMaterials PropertiesCrystal structure
Food Additives · 2 件

Foods, Drugs -> FDA Regulatory Status of Color Additives

COLOR OR COLORING ADJUNCT -> FDA Substance added to food

Boiling Point717.00 °C. @ 760.00 mm Hg
Physical Description · 2 件

Deep violet crystals or crystalline powder

Solid

物理化学的性質

融点
217 · 217~218℃
沸点
717 · 717.0±40.0 °C(Predicted)
比重(密度)
1.003 · 1.003±0.06 g/cm3(Predicted)
貯蔵温度
-20 °C · -20°C
溶解性
クロロホルム（わずかに）
外見
Solid

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 99.1% (110 of 111) of all reports.

Not Classified

Aggregated GHS information provided per 111 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: .beta.,.beta.-Carotene-4,4'-dione

Regulation (EC) No 1831/2003 (amended)

.beta.,.beta.-Carotene-4,4'-dione: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

安全データ

wgk
nwg
rtecs
FI0330000
ストレージクラス
11 - Combustible Solids

化学と産業

薬理情報

MeSH Pharmacological ClassificationNaturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Tissue LocationsEpidermis
Cellular LocationsExtracellular

用途と製造

Use Classification · 4 件

Food additives

Food Additives -> COLOUR -> JECFA Functional Classes

Food Additives -> COLOUR -> JECFA Functional Classes

Cosmetics -> Cosmetic colorant

応用分野 · 2 件

使用Canthaxanthin is a synthetic red colorant that is the carotenoid of most intense red color. it is available in oil-soluble, oil-dispersible, and water-dispersible forms. it has fair ph, heat, light, and chemical stability with a low tinctorial strength. unlike the carotenoids beta- carotene and beta-apo-8-carotenal, it does not possess vitamin a activity. maximum usage level is 66 ppm. uses include carbonated soft drinks, salad dressing, and spaghetti sauce.

一般的な説明Canthaxanthin (red diketocarotenoid or 4, 4′-diketo-β-carotene), is a common xanthophyll found naturally in microorganisms and marine organisms, as well as in certain animals. It acts as an antioxidant in living organisms. The potential antioxidant activity of canthaxanthin is due to the presence of conjugated double bonds in its structure. It finds applications in various fields including poultry, fishery, cosmetics, medicine, and pharmaceuticals. In food industries, canthaxanthin can be used as a coloring agent.

調製方法

純化方法Purify canthaxanthin by chromatography on a column of deactivated alumina or magnesium oxide, or on a thin layer plate of silica gel G (M

上流・下流製品情報

上流原料

サプライヤー100 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉鹏垒生物科技有限公司15871464247 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

補足説明

定義本品は、次の化学式で表されるカロチノイド色素であり、頭髪用染料である。

定義ChEBI: A carotenone that consists of beta,beta-carotene bearing two oxo substituents at positions 4 and 4'.

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