2-Octanone (CAS 111-13-7) — formula C8H16O, molecular weight 128.12 g/mol; category food flavors.
2-Octanone (CAS 111-13-7) is a food flavors. Its molecular formula C8H16O comprises 8 C, 16 H, 1 O atoms. Its molecular weight is about 128.12 g/mol. Reported physicochemical data: melting point around -16 °C, boiling point around 173.5, LogP about 2.4. 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 | 111-13-7 |
|---|---|
| Molecular Formula | C8H16O |
| Molecular Weight | 128.12 g/mol |
| Melting Point | -16 °C |
| Boiling Point | 173.5 |
| LogP | 2.4 |
| 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.
2-Octanone is a flavoring compound with CAS registry number 111-13-7 and molecular formula C8H16O (molecular weight 128.12 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 111-13-7
Its molecular formula C8H16O comprises 8 C, 16 H, 1 O atoms.
Also known as: 2-Octanone · 2-辛酮
Category: food flavors
The CAS registry number of 2-Octanone is 111-13-7.
Molecular formula C8H16O, molecular weight 128.12 g/mol.
It is also registered under: 2-Octanone, 2-辛酮.
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 2-Octanone (CAS 111-13-7), compiled from public chemistry databases.
| CAS Number | 111-13-7 |
|---|---|
| PubChem CID | 8093 |
| Molecular Formula | C8H16O |
| Molecular Weight | 128.12 g/mol |
| IUPAC Name | octan-2-one |
| InChIKey | ZPVFWPFBNIEHGJ-UHFFFAOYSA-N |
| UNII (FDA) | J2G84H29AF |
| Molecular Weight | 128.21 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 128.120115130 |
| Monoisotopic Mass | 128.120115130 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 9 |
| Boiling Point | 173.5 |
|---|---|
| Boiling Point | 173.00 to 175.00 °C. @ 760.00 mm Hg |
| Boiling Point | 174-175 °C |
| Boiling Point | 172.5 °C @760 [mm Hg] |
| Melting Point | -16 °C |
| Flash Point | 125 °F (52 °C) (Closed cup) |
| Solubility | In water, 899 mg/L at 20 °C |
| Solubility | 0.899 mg/mL at 20 °C |
| Density | 0.820 at 20 °C/4 °C |
| Density | 0.813-0.819 |
2-OCTANONE; Octan-2-one; 111-13-7; Hexyl methyl ketone; Methyl hexyl ketone; n-Hexyl methyl ketone; Methyl n-hexyl ketone; 2-Oxooctane; FEMA No. 2802; FEMA Number 2802; J2G84H29AF; DTXSID4021927; NSC-3712; CHEBI:87434; RefChem:88855; DTXCID301927
| Regulatory & food contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fat, Fragrant, Mold No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notifications | 0.8% (15 / 1970) |
| GHS notifications | 0.8% (15 / 1970) |
|---|---|
| Notified hazard statements | H226 (99%), H319, H336 |
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-辛酮