Canthaxanthin

HCID 5281227CAS 514-78-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 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
분자식
C40H52O2
평균 분자량
564.8 g/mol
단동위원소 질량
564.3967309

개요

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.

이름 및 식별자

우선 이름
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
영어명
Canthaxanthin
분자식
C40H52O2
분자량
564.85

이름 및 동의어

Canthaxanthin514-78-3CanthaxanthineOrobronzeCarophyll RedFood orange 8Roxanthin Red 104,4'-Dioxo-beta-caroteneDTXSID0022727CI 40850KANTAKISANTIN4C3C6403MU
이름 더 보기
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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
11.4
극성 표면적
34.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
10
무거운 원자 수
42

실험 및 물리화학적 성질

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

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 · 2건

Deep violet crystals or crystalline powder

Solid

물리화학적 성질

녹는점
217 · 217~218℃
끓는 점
717 · 717.0±40.0 °C(Predicted)
밀도
1.003 · 1.003±0.06 g/cm3(Predicted)
저장 조건
-20 °C · -20°C
용해도
클로로포름(약간 용해됨)
물리적 상태
Solid

안전 및 규제

GHS 분류

GHS Classification · 3건

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.

유해성 정보

Regulatory Information · 3건

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

안전 데이터

wgk
nwg
rtecs
FI0330000
기존화학 물질
KE-04643
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

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

용도 및 제조

Use Classification · 4건

Food additives

Food Additives -> COLOUR -> JECFA Functional Classes

Food Additives -> COLOUR -> JECFA Functional Classes

Cosmetics -> Cosmetic colorant

응용 분야 · 2건

용도Canthaxanthin 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.

일반 설명Canthaxanthin (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.

상·하류 제품 정보

상류 원료

공급사50 곳

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]

추가 설명

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

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