Basic information
- CAS
3604-90-8- Standard SMILES
CC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C- InChIKey
PRDJTOVRIHGKNU-ZWERVMMHSA-N- Molecular formula
- C33H44O
- Average molar mass
- 456.7 g/mol
- Monoisotopic mass
- 456.33921602
Overview
Citranaxanthin is an apo carotenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 1'- and 6'-positions. It has a role as a food colouring. It is an enone and an apo carotenoid.
Names & identifiers
- Preferred name
- Citranaxanthin
- IUPAC
- (3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-(2,6,6-trimethylcyclohexen-1-yl)icosa-3,5,7,9,11,13,15,17,19-nonaen-2-one
- English name
- (E)-5,9,14,18-tetramethyl-20-(2,6,6-trimethylcyclohexenyl)-3,5,7,9,11,13,15,17,19-icosanonaen-2-one
- Molecular formula
- C33H44O
- Molecular weight
- 456.7
Names & synonyms
citranaxanthin3604-90-83,5,7,9,11,13,15,17,19-Eicosanonaen-2-one, 5,9,14,18-tetramethyl-20-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E,5E,7E,9E,11E,13E,15E,17E,19E)-4QIX1TA44L(3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-(2,6,6-trimethylcyclohexen-1-yl)icosa-3,5,7,9,11,13,15,17,19-nonaen-2-one(3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-tetramethyl-20-(2,6,6-trimethylcyclohex-1-en-1-yl)icosa-3,5,7,9,11,13,15,17,19-nonaen-2-oneCHEBI:53217DTXSID20883993RefChem:126516DTXCID101023468222-762-5(E)-5,9,14,18-Tetramethyl-20-(2,6,6-trimethylcyclohexenyl)-3,5,7,9,11,13,15,17,19-icosanonaen-2-one
Show more names
Citranaxanthin，synthetic5,9,14,18-Tetramethyl-20-(2,6,6-trimethyl-1-cyclohexen-1-yl)-(all-E)-3,5,7,9,11,13,15, 17,19-eicosanonaen-2-one(3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-Tetramethyl-20-(2,6,6-trimethyl-1-cyclohexen-1-yl)icosa-3,5,7,9,11,13,15,17,19-nonen-2-one(3E,5E,7E,9E,11E,13E,15E,17E,19E)-5,9,14,18-Tetramethyl-20-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3,5,7,9,11,13,15,17,19-icosanonen-2-one
EINECS 222-762-5UNII-4QIX1TA44LCitranxanthinSCHEMBL115883orb3141783E 161iPRDJTOVRIHGKNU-ZWERVMMHSA-NFC57727
Database identifiers
- CAS
3604-90-8- PubChem CID
- 6436724
- DTXSID
DTXSID20883993- ChEBI
CHEBI:53217- UNII
- 4QIX1TA44L
- EC Number
- 222-762-5
- Nikkaji
- J14.442H、J24.540B
Properties
Computed structural properties
- XLogP
- 10.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,000
Physicochemical properties
- Boiling point
- 612.8 · 612.8±24.0 °C(Predicted)
- Density
- 0.947 · 0.947±0.06 g/cm3(Predicted)
- InChIKey
- PRDJTOVRIHGKNU-ZWERVMMHSA-N
- SMILES
- CC(=O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1C(C)(C)CCCC=1C
- LogP
- 10.417 · 10.417 (est)
- FDA UNII
- 4 QIX1TA44L · 4QIX1TA44L
- EPA Substance Registry System
- 3 · 3,5,7,9,11,13,15,17,19-Eicosanonaen-2-one, 5,9,14,18-tetramethyl-20-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E,5E,7E,9E,11E,13E,15E,17E,19E)- (3604-90-8)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (104 of 104) of all reports.
Not Classified
Aggregated GHS information provided per 104 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 3,5,7,9,11,13,15,17,19-Eicosanonaen-2-one, 5,9,14,18-tetramethyl-20-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E,5E,7E,9E,11E,13E,15E,17E,19E)-
Regulation (EC) No 178/2002 (amended)
3,5,7,9,11,13,15,17,19-Eicosanonaen-2-one, 5,9,14,18-tetramethyl-20-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E,5E,7E,9E,11E,13E,15E,17E,19E)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationFood Additives -> COLOUR -> JECFA Functional Classes
General Manufacturing Information3,5,7,9,11,13,15,17,19-Eicosanonaen-2-one, 5,9,14,18-tetramethyl-20-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E,5E,7E,9E,11E,13E,15E,17E,19E)-: ACTIVE
Applications
UsesCitranxanthin is an antioxidant β-carotene (C184250) found in plants such as tomatoes, kale and papaya, as well as in the yolks of fertile chicken eggs.
Suppliers6 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: An apo carotenoid compound arising from oxidative degradation of the beta,beta-carotene skeleton at the 1'- and 6'-positions.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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