Isoamyl octanoate (CAS 2035-99-6) — formula C13H26O2, molecular weight 214.19 g/mol; category food flavors.
Isoamyl octanoate (CAS 2035-99-6) is a food flavors. Its molecular formula C13H26O2 comprises 13 C, 26 H, 2 O atoms. Its molecular weight is about 214.19 g/mol. Reported physicochemical data: boiling point around 267.00 to 268.00 °C. @ 760.00 mm Hg, LogP about 4.8. 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 | 2035-99-6 |
|---|---|
| Molecular Formula | C13H26O2 |
| Molecular Weight | 214.19 g/mol |
| Boiling Point | 267.00 to 268.00 °C. @ 760.00 mm Hg |
| LogP | 4.8 |
| 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.
Isoamyl octanoate is a flavoring compound with CAS registry number 2035-99-6 and molecular formula C13H26O2 (molecular weight 214.19 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 2035-99-6
Its molecular formula C13H26O2 comprises 13 C, 26 H, 2 O atoms.
Also known as: Isoamyl octanoate · 辛酸异戊酯
Category: food flavors
The CAS registry number of Isoamyl octanoate is 2035-99-6.
Molecular formula C13H26O2, molecular weight 214.19 g/mol.
It is also registered under: Isoamyl octanoate, 辛酸异戊酯.
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 Isoamyl octanoate (CAS 2035-99-6), compiled from public chemistry databases.
| CAS Registry Number | 2035-99-6 |
|---|---|
| PubChem CID | 16255 |
| Molecular formula | C13H26O2 |
| Molecular weight | 214.19 g/mol |
| IUPAC name | 3-methylbutyl octanoate |
| InChIKey | XKWSWANXMRXDES-UHFFFAOYSA-N |
| UNII (FDA) | 2EX40079OL |
| ChEBI ID | CHEBI:87536 |
| FEMA number | 2080 |
| JECFA number | 47 |
| Molecular Weight | 214.34 |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Exact Mass | 214.193280068 |
| Monoisotopic Mass | 214.193280068 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 267.00 to 268.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 267-268 °C |
| Density | 0.855-0.861 |
| Refractive Index | 1.425-1.429 |
Isopentyl octanoate; Isoamyl octanoate; 3-METHYLBUTYL OCTANOATE; Isoamyl caprylate; Octanoic acid, 3-methylbutyl ester; Isoamyl octanoate (natural); octanoic acid isopentyl ester; EINECS 218-004-8; UNII-2EX40079OL; BRN 1767760; AI3-01827; 2EX40079OL; WE(4:0(3Me)/8:0); DTXSID7062114; ISOAMYL OCTANOATE [FHFI]; CHEBI:87536
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 74.3% (159 / 214) |
| GHS notification summary | 74.3% (159 / 214) |
|---|---|
| Reported hazard statements | H315 (25.7%), H319 (24.8%), H335 (23.8%) |
This chemical does not meet GHS hazard criteria for 74.3% (159 of 214) of all reports.
H315 (25.7%): Causes skin irritation [Warning Skin corrosion/irritation]
Isoamyl octanoate is identified by CAS 2035-99-6, molecular formula C13H26O2 and molecular weight 214.19 g/mol. UNII 2EX40079OL; ChEBI 87536; InChIKey XKWSWANXMRXDES-UHFFFAOYSA-N. Boiling Point: 267.00 to 268.00 °C. @ 760.00 mm Hg; Boiling Point: 267-268 °C; Density: 0.855-0.861.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 辛酸异戊酯