HEXYL OCTANOATE (CAS 1117-55-1) — formula C14H28O2, molecular weight 228.21 g/mol; category organic chemicals.
HEXYL OCTANOATE (CAS 1117-55-1) is a organic chemicals. Its molecular formula C14H28O2 comprises 14 C, 28 H, 2 O atoms. Its molecular weight is about 228.21 g/mol. Reported physicochemical data: melting point around -31 °C, boiling point around 277 °C, LogP about 5.3. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. 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 | 1117-55-1 |
|---|---|
| Molecular Formula | C14H28O2 |
| Molecular Weight | 228.21 g/mol |
| Melting Point | -31 °C |
| Boiling Point | 277 °C |
| LogP | 5.3 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | agrochemicals, dyes, solvents, food additives and polymer materials. 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 | Organic Chemicals|Flavors |
Documented applications: agrochemicals, dyes, solvents, food additives and polymer materials. 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.
HEXYL OCTANOATE is a carbon-based organic compound with CAS registry number 1117-55-1 and molecular formula C14H28O2 (molecular weight 228.21 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1117-55-1
Its molecular formula C14H28O2 comprises 14 C, 28 H, 2 O atoms.
Also known as: HEXYL OCTANOATE · 辛酸己酯
Category: organic chemicals / food flavors
The CAS registry number of HEXYL OCTANOATE is 1117-55-1.
Molecular formula C14H28O2, molecular weight 228.21 g/mol.
It is also registered under: HEXYL OCTANOATE, 辛酸己酯.
Recorded applications: agrochemicals, dyes, solvents, food additives and polymer materials. 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: Organic Chemicals / 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 HEXYL OCTANOATE (CAS 1117-55-1), compiled from public chemistry databases.
| CAS Registry Number | 1117-55-1 |
|---|---|
| PubChem CID | 14228 |
| Molecular formula | C14H28O2 |
| Molecular weight | 228.21 g/mol |
| IUPAC name | hexyl octanoate |
| InChIKey | PBGWNXWNCSSXCO-UHFFFAOYSA-N |
| UNII (FDA) | GU3S7YK802 |
| ChEBI ID | CHEBI:87490 |
| FEMA number | 2575 |
| JECFA number | 175 |
| Molecular Weight | 228.37 |
|---|---|
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 12 |
| Exact Mass | 228.208930132 |
| Monoisotopic Mass | 228.208930132 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 16 |
| Boiling Point | 277 °C |
|---|---|
| Melting Point | -31 °C |
| Density | 0.857-0.864(d20/4) |
| Refractive Index | 1.428-1.433 |
Hexyl octanoate; Hexyl caprylate; n-Hexyl caprylate; OCTANOIC ACID, HEXYL ESTER; Hexyl octylate; FEMA No. 2575; Hexyl octanoate (natural); DTXSID8047636; FEMA 2575; Caproyl caprylate; EINECS 214-247-9; UNII-GU3S7YK802; BRN 1769635; GU3S7YK802; AI3-33727; N-HEXYL-N-OCTANOATE
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green, Herb, Oil No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (283 / 283) |
| GHS notification summary | 100% (283 / 283) |
|---|
This chemical does not meet GHS hazard criteria for 100% (283 of 283) of all reports.
Reported as not meeting GHS hazard criteria by 283 of 283 companies. For more detailed information, please visit ECHA C&L website.
HEXYL OCTANOATE is identified by CAS 1117-55-1, molecular formula C14H28O2 and molecular weight 228.21 g/mol. UNII GU3S7YK802; ChEBI 87490; InChIKey PBGWNXWNCSSXCO-UHFFFAOYSA-N. Boiling Point: 277 °C; Melting Point: -31 °C; Density: 0.857-0.864(d20/4).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 辛酸己酯