CAS 6983-79-5 Bixin (HCID 5281226)

名称と識別子

優先名称: Bixin
IUPAC: (2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
現地名: ビキシン
英語名: Bixin
分子式: C25H30O4
分子量: 394.5

名称と別名

Bixin6983-79-5(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acidDTXSID1024629Methyl (9-cis)-hydrogen-6,6'-diapo-psi,psi-carotenedioate9L7T4VB66GAnnatto (E 160b)E160bCHEBI:3136DTXCID3045352,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, monomethyl ester, (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-RefChem:29838

名称をさらに表示

cis-ノルビキシンメチルエステル(9Z)-6,6'-ジアポ-ψ,ψ-カロテン-6,6'-二酸6-メチルビキシノール(2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-テトラメチル-2,4,6,8,10,12,14,16,18-イコサノナエン二酸1-メチルcis-ビキシンα-ビキシンビキシン標準品ビキシン(2E,4E,6E,8E,10E,12E,14E,16Z,18E)-20-メトキシ-4,8,13,17-テトラメチル-20-オキソイコサ-2,4,6,8,10,12,14,16,18-ノナエン酸(9Z)-6,6′-ジアポ-ψ,ψ-カロテン-6,6′-二酸6-メチルBIXINEalpha-BixinBIXIN MIN 90%Einecs 230-248-7Bixin (Standard)Bixin (Annato extract)cis-Norbixin methyl esterTIANFU-CHEM CAS NO.6983-79-5 BIXIN

230-248-7cis-Bixin20-methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acidIsobixinStable bixin6'-methyl hydrogen 9'-Z-6,6'-diapocarotene-6,6'-dioate6'-methyl hydrogen 9'-cis-6,6'-diapocarotene-6,6'-dioateC25H30O4

データベース識別子

CAS: 6983-79-5
PubChem CID: 5281226
DTXSID: DTXSID1024629
ChEMBL: CHEMBL1172615
ChEBI: CHEBI:3136
UNII: 9L7T4VB66G
EC Number: 230-248-7
Nikkaji: J9.821C

物性

構造計算による物性

XLogP: 7.5
極性表面積: 63.6 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 11
重原子数: 29
形式電荷: 0
複雑度: 823

実験および物理化学的性質

Melting Point189.5 - 190.5 °C

Physical DescriptionSolid

Collision Cross Section · 1 件

187.86 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；183.81 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；181.81 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]；192.58 Å² [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点: 217 °C · 217°C (dec.)
沸点: 438.7 °C · 438.7°C (rough estimate)
比重(密度): 1.0659 · 1.0659 (rough estimate)
屈折率: 1.446 · 1.4460 (estimate)
貯蔵温度: -20 °C · -20°C
溶解性: クロロホルム（微量）、DMSO（微量）、メタノール（微量）
外見: 個体
酸解離定数(Pka): 4.69 · 4.69±0.10(Predicted)
色: 濃い赤から非常に濃い赤
安定性: 空気に敏感、光に敏感、温度に敏感
InChIKey: RAFGELQLHMBRHD-SLEZCNMESA-N
SMILES: CC(/C=C/C(O)=O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C=C/C(OC)=O)C || CC(/C=C/C(O)=O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C=C/C(OC)=O)C
LogP: 8.23 · 8.23
CAS データベース: 6983 · 6983-79-5

化学的性質

化学的特性orange,purple lustrous crystalline solid plates

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 35.3% (6 of 17) of reports.

Danger

H302 (64.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (64.7%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (64.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (64.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (64.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (64.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 17 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 6 of 17 reports by companies.；There is 1 notification provided by 11 of 17 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 3 件

Chemical: 6,6'-Diapo-.pseudo.,.pseudo.-carotenedioic acid, monomethyl ester, 9-cis-

Regulation (EC) No 1333/2008 (amended)

2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, monomethyl ester, (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (64.7%)；Acute Tox. 3 (64.7%)；Skin Irrit. 2 (64.7%)；Eye Irrit. 2 (64.7%)；Acute Tox. 3 (64.7%)；STOT SE 3 (64.7%)

法規制情報

Regulatory Information · 3 件

Chemical: 6,6'-Diapo-.pseudo.,.pseudo.-carotenedioic acid, monomethyl ester, 9-cis-

Regulation (EC) No 1333/2008 (amended)

2,4,6,8,10,12,14,16,18-Eicosanonaenedioic acid, 4,8,13,17-tetramethyl-, monomethyl ester, (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
hs_code: 38200000
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

Cellular LocationsMembrane

用途と製造

Use ClassificationFood Additives -> COLOUR -> JECFA Functional Classes

応用分野 · 5 件

解説C25H30O4(394.52)．ビキシンは，カロテノイドの一つ．ベニノキBixa orellanaの種子や葉に含まれる．天然のものは，構造式中16位の＊印を付した二重結合1個がシス形配置をとり，不安定型ビキシンともよばれる．ベニノキの種子を水で処理して色素を含む部分を分離し，エタノールで抽出，アンモニウム塩を経て精製する．紫色の柱状結晶．融点198 ℃．λmax 523.5，489，457 nm(二硫化炭素)．ピリジン，クロロホルム，酢酸に可溶．不安定型ビキシンをヨウ素で異性化すると，全トランス形のイソビキシン(紫赤色の板状結晶．融点216～217 ℃．λmax 526.5，491，457 nm(二硫化炭素))にかわる．アセトン，クロロホルムに可溶，水に不溶．酸化，還元には安定である．ビキシンは油脂や食品の着色に用いられる．森北出版「化学辞典（第2版）

説明Bixin [CAS: 6983-79-5] (CI Natural Orange 4; CI 75120) is found in the seed of the plant Bixa orellana, native to India. Later it was found growing in South America, where the Indians used the red dye from the seeds as a body paint. An extract of the seeds appears on the market as annatto. This extract is used in coloring butter, margarine, and cheese such as Leicester cheese. In Mexican and South American cuisine, it finds special use as a flavor and coloring matter. Annato is available as an aqueous solution, as an oleaginous dispersion, and a spray-dried powder.

天然物の起源Bixin (CI Natural Orange 4; CI 75120) is found in the seed of the plant Bixa orellana, native to India. Later it was found growing in South America, where the Indians used the red dye from the seeds as a body paint. An extract of the seeds appears on the market as annatto. This extract is used in coloring butter, margarine, and cheese such as Leicester cheese. In Mexican and South American cuisine, it finds special use as a flavor and coloring matter. Annato is available as an aqueous solution, as an oleaginous dispersion, and a spray-dried powder.

使用Bixin is a carotenoid that is the main coloring component of annatto. it is obtained from the bixa orellana tree. bixin is soluble in fats and oils and the produced color is found in the fat fraction of the food. it has a yellow hue, very good oxidation stability, fair light stability, and good heat stability, but it is poor at very high temperatures, such as above 125°c. one part bixin is equivalent to 1.5 parts caro- tene. it is used at 0.5–10 ppm in finished foods, such as margarine, salad dressings, popcorn oil, and baked goods. it is also termed annatto extract. see annatto.

一般的な説明Bixin is a methyl ester of a dibasic fatty acid. On treating with alkali, it is hydrolyzed to form water soluble norbixin. It is obtained in pure form from annatto seeds. Bixin is a carotenoid and estimated as yolk and skin pigmenter.

調製方法

純化方法Crystallise bixin from Me2CO (violet prisms) [Pattenden et al. J Chem Soc (C) 235 1970]. [Beilstein 2 III 2020, 2 IV 2455, H 30 110.]

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補足説明

定義本品は、ベニノキ Bixa orellana の種子から得られる色素であり、次の化学式で表される。R、R'：CH3、H、Na又はK

定義ChEBI: A carotenoic acid that is the 6'-monomethyl ester of 9'-cis-6,6'-diapocarotene-6,6'-dioic acid.

化合物ノート

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ビキシン

基本情報