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 chemical raw material in the food flavors category. 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. 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 | 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.
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: 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 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