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 chemical raw material in the food flavors category. 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. 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 | 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存 |
| Category | Flavors |
Documented applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
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: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
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