(+)-Nootkatone - ≥97%(GC) , CAS No.4674-50-4

CAS: 4674-50-4 Cat. No.: N159076 Peso molecular: 218.34 Número EC: 225-124-4
Disponible para pedir
GRADE & PURITY ≥97%(GC)
Synonyms
(+)-Nootkatone, technical, >=85% (GC) | Nootkanone | UNII-3K3OKV2A5A | 4Betah,5alpha-eremophila-1(10),11-dien-2-one | Nootkatone, >=98%, FG | 7betaH-Eremophila-1(10),11-dien-2-one - | CCG-266714 | nootkaton | (+)-5,6-dimethyl-8-isopropenylbicyclo[4.4.0]de
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
N159076-1g
3

25,90US$

38,90US$
Guardar 13,00 US$ (33.42%)
5g
N159076-5g
3

121,90US$

182,90US$
Guardar 61,00 US$ (33.35%)
25g
N159076-25g
3

581,90US$

872,90US$
Guardar 291,00 US$ (33.34%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

(+)-nootkatone, a bicyclic conjugated sesquiterpene ketone with a grapefruit-like flavor, is commonly used in fragrance, food, cosmetics and pharmaceutical industry. It can be synthesized from (+)-valencene via biotransformation. (+)-nootkatone is the active ingredient responsible for the antiplatelet effect of Cyperus rotundus, a well-known oriental traditional medicine.

Specifications

Sinónimos
(+)-Nootkatone, technical, >=85% (GC) | Nootkanone | UNII-3K3OKV2A5A | 4Betah, 5alpha-eremophila-1(10), 11-dien-2-one | Nootkatone, >=98%, FG | 7betaH-Eremophila-1(10), 11-dien-2-one - | CCG-266714 | nootkaton | (+)-5, 6-dimethyl-8-isopropenylbicyclo[4.4.0]de
Especificaciones y pureza
≥97%(GC)
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥97%(GC)
Nombres e identificadores
Pubchem Sid504760442
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504760442
Sonrisas canónicasCC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C
IUPAC Name(4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
InChIKeyWTOYNNBCKUYIKC-JMSVASOKSA-N
INCHI1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3/t11-,12-,15+/m1/s1
Isómeros SMILES C[C@@H]1CC(=O)C=C2[C@]1(C[C@@H](CC2)C(=C)C)C
WGK Alemania 2
Peso molecular 218.34
Reaxy-Rn 4136150
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4136150&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
ClasePrenol lipids
SubclassSesquiterpenoids
Intermediate Tree Nodes Not available
Direct ParentEremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids
Alternative Parents Cyclohexenones  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents Eremophilane sesquiterpenoid - Cyclohexenone - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids. These are sesquiterpenoids with a structure based either on the eremophilane skeleton, its 8,9-seco derivative, or the furoeremophilane skeleton. Eremophilanes have been shown to be derived from eudesmanes by migration of the methyl group at C-10 to C-5.
External Descriptors sesquiterpenoid
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
TRPV1 Tclin Vanilloid receptor (8273 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO2B1 Tchem Solute carrier organic anion transporter family member 2B1 (580 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
RBL-2H3 (1162 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BV-2 (3710 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Coptotermes formosanus (677 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

10 results found

Lot NumberCertificate TypeFechaArticulo
J2114632Certificate of AnalysisJul 10, 2025 N159076
C2624019Certificate of AnalysisJun 30, 2025 N159076
H2522691Certificate of AnalysisJun 30, 2025 N159076
H2522692Certificate of AnalysisJun 30, 2025 N159076
H2522693Certificate of AnalysisJun 30, 2025 N159076
G2501609Certificate of AnalysisJul 02, 2024 N159076
K2202721Certificate of AnalysisAug 02, 2022 N159076
K2202724Certificate of AnalysisAug 02, 2022 N159076
K2202735Certificate of AnalysisAug 02, 2022 N159076
A2508081Certificate of AnalysisMay 27, 2021 N159076
Propiedades químicas y físicas
SolubilidadSoluble in water (partly), alcohol, and ethanol.
Sensibilidadheat & moisture & air sensitive
Rotación específica [α]173° (C=1,EtOH)
Punto de inflamación (°F)212 °F
Punto de inflamación (°C)100 °C
Punto de ebullición (°C)125℃/0.5mm
Punto de fusión (°C)36 °C
Peso molecular218.330 g/mol
XLogP33.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass218.167 Da
Monoisotopic Mass218.167 Da
Topological Polar Surface Area17.100 Ų
Heavy Atom Count16
Formal Charge0
Complexity364.000
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
Referencias
1. Chongshan Dai, Xueyong Zhang, Jiahao Lin, Jianzhong Shen.  (2023)  Nootkatone Supplementation Ameliorates Carbon Tetrachloride-Induced Acute Liver Injury via the Inhibition of Oxidative Stress, NF-κB Pathways, and the Activation of Nrf2/HO-1 Pathway.  Antioxidants,  12  (1): (194).  [PMID:36671056] [10.3390/antiox12010194]
2. Ruige Yang, Meiyue Han, Jiangping Fan, Wanqing Cheng, Nannan Ma, Xiaoting Yan, Yong Guo.  (2021)  Development of Novel (+)-Nootkatone Thioethers Containing 1,3,4-Oxadiazole/Thiadiazole Moieties as Insecticide Candidates against Three Species of Insect Pests.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:34919380] [10.1021/acs.jafc.1c05853]
3. Yong Guo, Enhua Hou, Nannan Ma, Zhiyan Liu, Jiangping Fan, Ruige Yang.  (2020)  Discovery, biological evaluation and docking studies of novel N-acyl-2-aminothiazoles fused (+)-nootkatone from Citrus paradisi Macf. as potential α-glucosidase inhibitors.  BIOORGANIC CHEMISTRY,      [PMID:32987307] [10.1016/j.bioorg.2020.104294]
4. Yong Guo, Zhiyan Liu, Enhua Hou, Nannan Ma, Jiangping Fan, Cheng-Yun Jin, Ruige Yang.  (2020)  Non-food bioactive natural forest products as insecticide candidates: Preparation, biological evaluation and molecular docking studies of novel N-(1,3-thiazol-2- yl)carboxamides fused (+)-nootkatone from Chamaecyparis nootkatensis [D. Don] Spach.  INDUSTRIAL CROPS AND PRODUCTS,      [PMID:] [10.1016/j.indcrop.2020.112864]
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