NOOTKATONE (CAS 4674-50-4) — formula C15H22O, molecular weight 218.33; category organic chemicals.
| CAS Number | 4674-50-4 |
|---|---|
| Molecular Formula | C15H22O |
| Molecular Weight | 218.33 |
| Melting Point | 36-37 °C |
| Boiling Point | BP: 125 °C at 0.5 mm Hg |
| LogP | 3.9 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Category | Organic Chemicals |
NOOTKATONE is a carbon-based organic compound with CAS registry number 4674-50-4 and molecular formula C15H22O (molecular weight 218.33), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4674-50-4
Its molecular formula C15H22O comprises 15 C, 22 H, 1 O atoms.
Also known as: NOOTKATONE · 圆柚酮
Category: organic chemicals
The CAS registry number of NOOTKATONE is 4674-50-4.
Molecular formula C15H22O, molecular weight 218.33.
It is also registered under: NOOTKATONE, 圆柚酮.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for NOOTKATONE (CAS 4674-50-4), compiled from public chemistry databases.
| CAS Number | 4674-50-4 |
|---|---|
| PubChem CID | 1268142 |
| Molecular Formula | C15H22O |
| IUPAC Name | (4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one |
| UNII (FDA) | IZ2Y119N4J |
| Molecular Weight | 218.33 |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 218.167065321 |
| Monoisotopic Mass | 218.167065321 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 16 |
| Boiling Point | BP: 125 °C at 0.5 mm Hg |
|---|---|
| Boiling Point | 73-103 °C (0.8 mm Hg) |
| Melting Point | 36-37 °C |
| Flash Point | 100 °C (212 °F) - closed cup |
| Density | 0.9963 at 25 °C |
| Density | 1.003-1.032 |
| Vapor Density | >1 (Air = 1) |
| Refractive Index | 1.510-1.523 |
NOOTKATONE; (+)-Nootkatone; 4674-50-4; (4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one; DTXSID8047050; IZ2Y119N4J; 1(10),11-Eremophiladien-2-one; 4Betah,5alpha-eremophila-1(10),11-dien-2-one; 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R)-; DTXCID6027050; FEMA NO. 4941; CHEBI:81377; 4betaH,5alpha-Eremorphila-1(10)11-dien-2-one; 4,4a,5,6,7,8-Hexahydro-6-isopropenyl-4,4a-dimethyl-2(3H)-naphthalenone; 4a,5-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-7-keto-3-isopropenylnaphthalene; 4,4a,5,6,7,8-Hexahydro-4,4a-dimethyl-6-(1-methylethenyl)-2(3H)-naphthalenone, (4R-(4alpha,4aalpha,6beta))-
| Regulatory & food contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Grapefruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notifications | 64% (192 / 300) |
| GHS notifications | 64% (192 / 300) |
|---|---|
| Notified hazard statements | H315 (35.7%), H317 (35.3%), H319 (35.7%) |
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 圆柚酮