Methyl-(9-cis)-hydrogen-6,6'-diapo-.psi.,.psi.-carotindioat

Bixin

HCID 5281226CAS 6983-79-5
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Grundinformationen

Standard-SMILES
COC(=O)/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)O
InChIKey
RAFGELQLHMBRHD-SLEZCNMESA-N
Summenformel
C25H30O4
Durchschnittliche Molmasse
394,5 g/mol
Monoisotopische Masse
394,21440943

Namen und Bezeichner

Bevorzugter Name
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
Lokaler Name
Methyl-(9-cis)-hydrogen-6,6'-diapo-.psi.,.psi.-carotindioat
Englischer Name
Bixin
Summenformel
C25H30O4
Molmasse
394.5

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
7,5
Polarare Oberfläche (TPSA)
63,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
11
Schwere Atome
29

Experimentelle und physikochemische Eigenschaften

Melting Point189.5 - 190.5 °C
Physical DescriptionSolid
Collision Cross Section · 1 Eintrag

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

Physikochemische Eigenschaften

Schmelzpunkt
217 °C · 217°C (dec.)
Siedepunkt
438.7 °C · 438.7°C (rough estimate)
Dichte
1.0659 · 1.0659 (rough estimate)
Brechungsindex
1.446 · 1.4460 (estimate)
storage temp.
-20 °C · -20°C
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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%)

Regulatorische Informationen

Regulatory Information · 3 Einträge

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

Sicherheitsdaten

wgk
3
hs_code
38200000
risk_code
20/21/22-36/37/38
hazard_code
Xn
safety_code
26-36
Speicherklasse
11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

Use ClassificationFood Additives -> COLOUR -> JECFA Functional Classes
Anwendungen · 3 Einträge

BeschreibungBixin [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.

OccurrenceBixin (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.

VerwendenBixin 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.

Anbieter50 Anbieter

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Ergänzende Hinweise

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

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