Beta-Ionone (CAS 79-77-6) — formula C13H20O, molecular weight 192.15 g/mol; category food flavors.
Beta-Ionone (CAS 79-77-6) is a food flavors. Its molecular formula C13H20O comprises 13 C, 20 H, 1 O atoms. Its molecular weight is about 192.15 g/mol. Reported physicochemical data: melting point around -35 °C, boiling point around 284 °F at 18 mmHg (NTP, 1992), LogP about 2.9. 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 | 79-77-6 |
|---|---|
| Molecular Formula | C13H20O |
| Molecular Weight | 192.15 g/mol |
| Melting Point | -35 °C |
| Boiling Point | 284 °F at 18 mmHg (NTP, 1992) |
| LogP | 2.9 |
| 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.
Beta-Ionone is a flavoring compound with CAS registry number 79-77-6 and molecular formula C13H20O (molecular weight 192.15 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 79-77-6
Its molecular formula C13H20O comprises 13 C, 20 H, 1 O atoms.
Also known as: Beta-Ionone · β-紫罗兰酮
Category: food flavors
The CAS registry number of Beta-Ionone is 79-77-6.
Molecular formula C13H20O, molecular weight 192.15 g/mol.
It is also registered under: Beta-Ionone, β-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 Beta-Ionone (CAS 79-77-6), compiled from public chemistry databases.
| CAS Registry Number | 79-77-6 |
|---|---|
| PubChem CID | 638014 |
| Molecular formula | C13H20O |
| Molecular weight | 192.15 g/mol |
| IUPAC name | (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one |
| InChIKey | PSQYTAPXSHCGMF-BQYQJAHWSA-N |
| UNII (FDA) | A7NRR1HLH6 |
| ChEBI ID | CHEBI:32325 |
| FEMA number | 2595 |
| JECFA number | 389 |
| Molecular Weight | 192.30 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 192.151415257 |
| Monoisotopic Mass | 192.151415257 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 14 |
| Boiling Point | 284 °F at 18 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 271 °C at 760 mm Hg |
| Boiling Point | 266.00 to 269.00 °C. @ 760.00 mm Hg |
| Boiling Point | 239 °C |
| Melting Point | -35 °C |
| Flash Point | > 113 °C (> 235 °F) - closed cup |
| Solubility | In water, 169 mg/L at 25 °C |
| Density | 0.9461 at 20/4 °C |
| Density | 0.940-0.947 |
| Vapor Pressure | 0.054 mm Hg at 25 °C |
BETA-IONONE; (E)-beta-Ionone; trans-beta-Ionone; (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one; (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one; 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one; FEMA No. 2595; DTXSID4021769; A7NRR1HLH6; (E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one; 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-; NSC-46137; NSC-402758; DTXCID901769; CHEBI:32325; [E]-4-[2,6,6-trimethyl-1-cyclohexen-1-yl]-3-buten-2-one
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral, Violet beta-CYCLOCITRYLIDENEACETONE |
|---|---|
| GHS notification summary | 2.2% (40 / 1855) |
| GHS notification summary | 2.2% (40 / 1855) |
|---|---|
| Reported hazard statements | H411 (97.8%), H401, H315, H317 |
This chemical does not meet GHS hazard criteria for 2.2% (40 of 1855) of reports.
H411 (97.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Beta-Ionone is identified by CAS 79-77-6, molecular formula C13H20O and molecular weight 192.15 g/mol. UNII A7NRR1HLH6; ChEBI 32325; InChIKey PSQYTAPXSHCGMF-BQYQJAHWSA-N. Boiling Point: 284 °F at 18 mmHg (NTP, 1992); Boiling Point: 271 °C at 760 mm Hg; Boiling Point: 266.00 to 269.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: β-紫罗兰酮