Molekula
alpha-Isomethylionone
Supplying 4,500+ customers in over 80 countries
ISO 9001:2015 & ISO 14001:2015 certified · Supplying laboratories and industry since 2000 · Listed pack sizes are a starting point — we manufacture, source and repack to the quantity you need
Alpha-Isomethylionone is an ionone-type ketone (a sesquiterpenoid) widely used in perfumery and fragrance formulations for its floral, violet- and orris-like, woody scent profile. It is also employed in soaps, detergents, and cosmetics for its long-lasting olfactory properties. With a CAS number of 127-51-5 and molecular formula C14H22O (molecular weight 206.32), it is stored at ambient conditions and carries a Warning signal word under GHS classification. Molekula supplies alpha-Isomethylionone from research to bulk quantities with full documentation and ISO 9001:2015 traceability.
Example image for illustration only. Other packaging and pack sizes are available.
Pricing & pack sizes
Pack sizes & pricing
Pricing on request — packs available from research to bulk quantities.
Need a different quantity or pack?
Tell us how much you need and when — drums, IBCs, sacks or a one-off bulk lot. We'll manufacture or source it and come back with a price.
Prices exclude VAT/sales tax and shipping.
Specifications
| Property | Value |
|---|---|
| Appearance | Clear to light yellow liquid |
| Refractive Index | 1.498 - 1.502 |
| Identification | Conforms to reference |
| Assay | 60.0% - 70.0% |
| Relative Density (20 °C) | 0.927 - 0.931 |
| B-Isomethyl Ionone | 3.0% - 6.0% |
| a-Methyl ionone | 20.0% - 30.0% |
| B-Methyl ionone | ≤5.0% |
| Total ketone content | ≥92.0% |
Storage & handling
| Property | Value |
|---|---|
| Storage Temperature | Ambient |
| Flash Point | 110 °C |
| Transport Class | 9 |
| Packing Group | III |
| Acidity | Neutral |
Literature values
Published physical properties of the substance, not batch specifications.
| Property | Value |
|---|---|
| Boiling Point | 76 °C at 0.3 mmHg |
Source: PubChem CID 5372174 (Human Metabolome Database (HMDB))
Identification
| Property | Value |
|---|---|
| SKU | 90033575 |
| CAS Number | 127-51-5 |
| IUPAC Name | (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one |
| EC Number | 204-846-3 |
| Molecular Formula | C14H22O |
| Molecular Weight | 206.32 |
| Exact Mass | 206.1671 |
| SMILES | CC1=CCCC(C1/C=C(\C)/C(=O)C)(C)C |
| InChIKey | JRJBVWJSTHECJK-PKNBQFBNSA-N |
| InChI | InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+ |
| PubChem CID | 5372174 |
| UN Number | UN3082 |
| REACH Code | Y110 |
| TSCA Listed | Yes |
| HTS Code | 2914.23.0000 |
| Tariff Code | 2914230000 |
Safety & GHS
-
Health Hazard
GHS07
-
Hazardous to the Environment
GHS09
Hazard statements
- H315 Causes skin irritation
- H317 May cause an allergic skin reaction
- H319 Causes serious eye irritation
- H411 Toxic to aquatic life with long lasting effects
Precautionary statements
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray
- P273 Avoid release to the environment
- P302+352 IF ON SKIN: Wash with soap and water
- P303+361 IF ON SKIN (or hair): Remove immediately all contaminated clothing. Rinse with water/shower
- P305+351+338 IF IN EYES: Rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing
- P391 Collect spillage
Documents
Safety Data Sheets (SDS)
Available in English, French, German, Italian, Portuguese, Spanish.
Certificate of Analysis (CoA) by batch
Enter a lot or batch number to retrieve the CoA for that specific batch. We can generate one from spec data if no PDF is on file.
Synonyms
- .alpha.-Cetone
- (3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
- (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
- 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
- 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
- Cetone alpha
- FEMA No. 2714
- Isomethyl-alpha-ionone
- Isomethylionone, alpha-
- Isonaline 70
Frequently asked questions
What is alpha-Isomethylionone commonly used for?
Alpha-Isomethylionone is primarily used as a fragrance and flavor compound, known for its floral, violet-like scent, often found in perfumes, cosmetics, and fine fragrances.
What is the chemical formula and molecular weight of alpha-Isomethylionone?
The chemical formula is C14H22O, and the molecular weight is 206.32 g/mol.
How should alpha-Isomethylionone be stored?
Store at ambient temperature in a cool, dry place, away from direct sunlight and incompatible materials.
What purity grades are available for alpha-Isomethylionone?
Molekula supplies pharmaceutical (Ph. Eur./USP), cosmetic (IFRA-compliant), and technical grades—confirm your specific application for the right specification.
Can Molekula supply alpha-Isomethylionone in bulk quantities?
Yes, we offer bulk packaging options (drums, IBCs, or custom solutions) for large-scale industrial or fragrance production—contact us for pricing and lead times.
What documentation comes with an order of alpha-Isomethylionone?
Each order includes a Certificate of Analysis (CoA), Safety Data Sheet (SDS), and batch-specific documentation (e.g., chain-of-custody for pharmaceutical grades).
Ready to order or need a custom pack?
Tell us the product, grade, and quantity — Molekula usually responds within one working day with pricing and lead time.