all-trans-Canthaxanthin (E 161g) - analytical standard, Moligand™ , CAS No.514-78-3

CAS: 514-78-3 Cat. No.: A135943 Molecular Weight: 564.84 EC Number: 208-187-2
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
.BETA.-CAROTENE-4,4'-DIONE | CANTHAXANTHIN [FCC] | DTXCID002727 | 4,4'-DIKETO-.BETA.-CAROTENE | Canthaxanthin, tech. | NSC 374110 | UNII-4C3C6403MU | NCGC00095896-01 | Ro 1-9915 | Carotene-4,4'-dione, beta- | 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E
Storage
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Size
Status
Price
Qty
5mg
A135943-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$479.90
10mg
A135943-10mg
2

$737.90

$996.90
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Why this grade

analytical standard, Moligand™ Analytical standard,Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

All-trans-Canthaxanthin is a red-orange carotenoid with various biological activities, such as antioxidant, antitumor properties.

Specifications

Synonyms
.BETA.-CAROTENE-4, 4'-DIONE | CANTHAXANTHIN [FCC] | DTXCID002727 | 4, 4'-DIKETO-.BETA.-CAROTENE | Canthaxanthin, tech. | NSC 374110 | UNII-4C3C6403MU | NCGC00095896-01 | Ro 1-9915 | Carotene-4, 4'-dione, beta- | 2, 4, 4-trimethyl-3-[(1E, 3E, 5E, 7E, 9E, 11E, 13E, 15E
Specifications & Purity
analytical standard, Moligand™
Storage
Protected from light, Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Analytical standard, Moligand™
Names and Identifiers
Canonical SmilesCC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(C)C)C)C)C
IUPAC Name2,4,4-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
InChIKeyFDSDTBUPSURDBL-DKLMTRRASA-N
INCHI1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
Isomeric SMILES CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C
Molecular Weight 564.84
Reaxy-Rn 3124143
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3124143&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassPrenol lipids
SubclassTetraterpenoids
Intermediate Tree Nodes Carotenoids
Direct ParentXanthophylls
Alternative Parents Cyclohexenones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Xanthophyll - Cyclohexenone - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone.
External Descriptors C40 isoprenoids (tetraterpenes)
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Cruzipain (33337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
H2515248Certificate of AnalysisJul 19, 2025 A135943
C2202477Certificate of AnalysisDec 21, 2023 A135943
C2202476Certificate of AnalysisDec 21, 2023 A135943
Chemical and Physical Properties
SensitivityAir sensitive; Light sensitive
Melt Point(°C)201.6-201.7 °C
Molecular Weight564.800 g/mol
XLogP311.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass564.397 Da
Monoisotopic Mass564.397 Da
Topological Polar Surface Area34.100 Ų
Heavy Atom Count42
Formal Charge0
Complexity1270.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count9
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds9
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
1. Zi-Xu Zhang, Lu-Wei Xu, Ying-Shuang Xu, Jin Li, Wang Ma, Xiao-Man Sun, He Huang.  (2023)  Integration of genetic engineering and multi-factor fermentation optimization for co-production of carotenoid and DHA in Schizochytrium sp.  BIORESOURCE TECHNOLOGY,      [PMID:38154734] [10.1016/j.biortech.2023.130250]
2. Hang-Zhi Zhu, Shan Jiang, Jun-Jie Wu, Xue-Rong Zhou, Peng-Yang Liu, Feng-Hong Huang, Xia Wan.  (2022)  Production of High Levels of 3S,3′S-Astaxanthin in Yarrowia lipolytica via Iterative Metabolic Engineering.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:35191700] [10.1021/acs.jafc.1c08072]
3. Jiying Zhu, Wei Jia, Jian Peng.  (2024)  Dissecting the binding effect of Crocetin glucosyltransferase 2 in crocetin biotransformation in saffron (Crocus sativus L.) from different origins.  FOOD CHEMISTRY,      [PMID:38838622] [10.1016/j.foodchem.2024.139917]
4. Jiayan Du, Youtong Bao, Jingyuan Zhu, Xueqing Pang, Depeng Ren, Xinjian Yin, Pingping Zhou.  (2025)  Engineering of β-carotene hydroxylase for enhanced astaxanthin production in Saccharomyces cerevisiae.  BIOCHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.bej.2025.109722]
5. Weiwei Cheng, Jiahe Xu, Xiaowen Wang, Xinyang Li, Yufeng Chen, Guoqin Liu, Xuxia Zhou, Yuting Ding, Shulai Liu.  (2024)  Multiple Mechanisms of Haematococcus pluvialis–Derived Carotenoids to Inhibit Glycidyl Ester Formation in Rice Oil and a Chemical Model at High Temperatures.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:39140411] [10.1021/acs.jafc.4c04019]
Solution Calculators
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