Bixin (HCID 5281226)

이름 및 식별자

우선 이름: 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
현지명: 빅신
영어명: Bixin
분자식: C25H30O4
분자량: 394.5

이름 및 동의어

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

이름 더 보기

빅신BIXINEalpha-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 7.5
극성 표면적: 63.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 11
무거운 원자 수: 29
형식 전하: 0
복잡도: 823

실험 및 물리화학적 성질

Melting Point189.5 - 190.5 °C

Physical DescriptionSolid

Collision Cross Section · 1건

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]

물리화학적 성질

녹는점: 217 °C · 217°C (dec.)
끓는 점: 438.7 °C · 438.7°C (rough estimate)
밀도: 1.0659 · 1.0659 (rough estimate)
굴절률: 1.446 · 1.4460 (estimate)
저장 조건: -20 °C · -20°C
용해도: 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 4.69 · 4.69±0.10(Predicted)
색상: 진한 빨간색에서 매우 진한 빨간색까지
안정성: 공기 민감성, 빛 민감성, 온도 민감성
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

화학적 성질

orange,purple lustrous crystalline solid plates

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 3건

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%)

규제 정보

Regulatory Information · 3건

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

안전 데이터

wgk: 3
HS 번호: 38200000
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

Use ClassificationFood Additives -> COLOUR -> JECFA Functional Classes

응용 분야 · 4건

개요Bixin [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.

출처Bixin (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.

용도Bixin 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.

일반 설명Bixin 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.

공급사50 곳

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추가 설명

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

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