α-iso-Methylionone (CAS 127-51-5) — formula C14H22O, molecular weight 206.17 g/mol; category food flavors.
α-iso-Methylionone (CAS 127-51-5) is a food flavors. Its molecular formula C14H22O comprises 14 C, 22 H, 1 O atoms. Its molecular weight is about 206.17 g/mol. Reported physicochemical data: boiling point around 76.00 °C. @ 0.30 mm Hg, LogP about 4.315. Flavors are used to provide or enhance aroma in food and beverages, and must comply with food flavoring regulations. Widely used in beverages, confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 127-51-5 |
|---|---|
| Molecular Formula | C14H22O |
| Molecular Weight | 206.17 g/mol |
| Boiling Point | 76.00 °C. @ 0.30 mm Hg |
| LogP | 4.315 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Flavors |
Documented applications: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
α-iso-Methylionone is a flavoring compound with CAS registry number 127-51-5 and molecular formula C14H22O (molecular weight 206.17 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 127-51-5
Its molecular formula C14H22O comprises 14 C, 22 H, 1 O atoms.
Also known as: α-iso-Methylionone · α-异甲基紫罗兰酮
Category: food flavors
The CAS registry number of α-iso-Methylionone is 127-51-5.
Molecular formula C14H22O, molecular weight 206.17 g/mol.
It is also registered under: α-iso-Methylionone, α-异甲基紫罗兰酮.
Recorded applications: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
Category: Flavors.
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 α-iso-Methylionone (CAS 127-51-5), compiled from public chemistry databases.
| CAS Registry Number | 127-51-5 |
|---|---|
| PubChem CID | 5372174 |
| Molecular formula | C14H22O |
| Molecular weight | 206.17 g/mol |
| IUPAC name | (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one |
| InChIKey | JRJBVWJSTHECJK-PKNBQFBNSA-N |
| UNII (FDA) | 9XP4LC555B |
| ChEBI ID | CHEBI:179835 |
| FEMA number | 2714 |
| JECFA number | 404 |
| Molecular Weight | 206.32 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 206.167065321 |
| Monoisotopic Mass | 206.167065321 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 15 |
| Boiling Point | 76.00 °C. @ 0.30 mm Hg |
|---|---|
| Boiling Point | 238 °C |
| Density | 0.925-0.934 |
| LogP | 4.315 |
| Refractive Index | 1.498-1.503 |
3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one; (3E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one; RefChem:1068240; 204-846-3; Alpha-isomethylionone; 127-51-5; Cetone alpha; Isomethyl-alpha-ionone; alpha-iso-Methylionone; Isonaline 70; (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one; alpha-isomethyl ionone; 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one; FEMA No. 2714; Isomethylionone, alpha-; .alpha.-Cetone
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 1.9% (37 / 1992) |
| GHS notification summary | 1.9% (37 / 1992) |
|---|---|
| Reported hazard statements | H315 (78.1%), H317 (88.6%), H319 (70.7%), H411 (87.7%), H412 (10.2%), H400, H410 |
This chemical does not meet GHS hazard criteria for 1.9% (37 of 1992) of reports.
H315 (78.1%): Causes skin irritation [Warning Skin corrosion/irritation]
α-iso-Methylionone is identified by CAS 127-51-5, molecular formula C14H22O and molecular weight 206.17 g/mol. UNII 9XP4LC555B; ChEBI 179835; InChIKey JRJBVWJSTHECJK-PKNBQFBNSA-N. Boiling Point: 76.00 °C. @ 0.30 mm Hg; Boiling Point: 238 °C; Density: 0.925-0.934.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: α-异甲基紫罗兰酮