Moxalone
Also known as Naphth(2,3-b)oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aR,4S,7aS)-rel-, Naphth[2,3-b]oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aR,4S,7aS)-rel-, Naphth(2,3-b)oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1a.alpha.,4alpha,7a.alpha.)-
Key facts
What buyers check first
- CAS number
- 94400-98-3
- Formula
- C16H26O
- Molar mass
- 234.38 g/mol
- EC number
- 426-970-9
- HS code
- 291090
- Category
- Synthetic aroma chemicals
What is Moxalone?
Plain description, key identifiers and synonyms
Moxalone is a chemical substance with the molecular formula C16H26O and a molar mass of 234.38 g/mol. Its CAS registry number is 94400-98-3. The IUPAC name is (1aR,4S,7aS)-1a,3,3,4,6,6-hexamethyl-4,5,7,7a-tetrahydro-2H-naphtho[2,3-b]oxirene.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (1aR,4S,7aS)-1a,3,3,4,6,6-hexamethyl-4,5,7,7a-tetrahydro-2H-naphtho[2,3-b]oxirene
- CAS number
- 94400-98-3 CAS number cross-checked
- EC numbers
- 426-970-9, 639-635-9
- Molecular formula
- C16H26O
- UNII
- XRC77M2QTL
- INCI name
- OCTAHYDRO-HEXAMETHYL-NAPHTHOXIRENE
- InChIKey
- OHHWFLWQMHUVFQ-YNZJMPHRSA-N
- InChI
- InChI=1S/C16H26O/c1-10-8-14(2,3)11-7-13-16(6,17-13)9-12(11)15(10,4)5/h10,13H,7-9H2,1-6H3/t10-,13-,16+/m0/s1
- Canonical SMILES
- CC1CC(C)(C)C2=C(CC3(C)OC3C2)C1(C)C
- Isomeric SMILES
- C[C@H]1CC(C2=C(C1(C)C)C[C@@]3([C@H](C2)O3)C)(C)C
Synonyms
- Naphth(2,3-b)oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aR,4S,7aS)-rel-
- Naphth[2,3-b]oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aR,4S,7aS)-rel-
- Naphth(2,3-b)oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1a.alpha.,4alpha,7a.alpha.)-
- Rel-(1ar,4S,7as)-1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethylnaphth(2,3-b)oxirene
- rel-(1aR,4S,7aS)-1a,2,3,4,5,6,7,7a-Octahydro-1a,3,3,4,6,6-hexamethylnaphth[2,3-b]oxirene
- Naphth(2,3-b)oxirene, 1a,2,3,4,5,6,7,7a-octahydro-1a,3,3,4,6,6-hexamethyl-, (1aalpha,4alpha,7aalpha)-
- (1aR,4S,7aS)-1a,3,3,4,6,6-hexamethyl-4,5,7,7a-tetrahydro-2H-naphtho[2,3-b]oxirene
- (1aR,4S,7aS)-1a,3,3,4,6,6-Hexamethyl-1a,2,3,4,5,6,7,7a-octahydronaphtho[2,3-b]oxirene
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 234.38 g/molcalc.Computed value |
|---|---|
| Exact mass | 234.1984 Dacalc.Computed value |
| LogP (octanol/water) | 4.33calc.Computed value |
| Topological polar surface area | 12.53 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 17calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.88calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 3calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
C1CCC2=C(C1)CC1OC1C2
3 rings, 11 atoms.
No other chemical in our database has this scaffold.
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H411Toxic to aquatic life with long lasting effects.
Precautionary statements (3)
- P273Avoid release to the environment.
- P391Collect spillage.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidMoxalone suppliers
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Moxalone price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Cosmetic ingredient, INCI name OCTAHYDRO-HEXAMETHYL-NAPHTHOXIRENE(perfuming)
Functional uses
- Fragrance
Cosmetic functions
- Perfuming
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
United States
- TSCA inventory (USA)Status: Active in US commerce, Regulatory flags: Added by a premanufacture notice
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Moxalone is traded under.
Epoxides with a three-membered ring and their halogenated, sulphonated, nitrated or nitrosated derivatives…
- Netherlands24.5%
- China19.7%
- Japan18.8%
- United States17.6%
- Germany16.3%
- China10.8%
The HS code shown for Moxalone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Moxalone, based on the data on this page
What is Moxalone?
What is the CAS number of Moxalone?
What is the molecular formula and weight of Moxalone?
What is Moxalone used for?
Is Moxalone hazardous?
What is the HS code of Moxalone?
Where can I buy Moxalone?
What is the price of Moxalone?
Guides for buyers
Practical guides that help when you source, ship or handle Moxalone
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, FormulationHow to choose a cosmetic emulsifierA structured way to choose an emulsifier for creams and lotions: emulsion type, HLB and its limits, emulsifier families, formula fit, stability testing and what to ask suppliers.Read
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