3-octyl acetate (CAS 4864-61-3) — formula C10H20O2, molecular weight 172.15 g/mol; category organic chemicals.
3-octyl acetate (CAS 4864-61-3) is a organic chemicals. Its molecular formula C10H20O2 comprises 10 C, 20 H, 2 O atoms. Its molecular weight is about 172.15 g/mol. Reported physicochemical data: boiling point around 187 °C, LogP about 3.4. 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 | 4864-61-3 |
|---|---|
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.15 g/mol |
| Boiling Point | 187 °C |
| LogP | 3.4 |
| 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.
3-octyl acetate is a carbon-based organic compound with CAS registry number 4864-61-3 and molecular formula C10H20O2 (molecular weight 172.15 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4864-61-3
Its molecular formula C10H20O2 comprises 10 C, 20 H, 2 O atoms.
Also known as: 3-octyl acetate · 乙酸3-辛酯
Category: organic chemicals / food flavors
The CAS registry number of 3-octyl acetate is 4864-61-3.
Molecular formula C10H20O2, molecular weight 172.15 g/mol.
It is also registered under: 3-octyl acetate, 乙酸3-辛酯.
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 3-octyl acetate (CAS 4864-61-3), compiled from public chemistry databases.
| CAS Registry Number | 4864-61-3 |
|---|---|
| PubChem CID | 521238 |
| Molecular formula | C10H20O2 |
| Molecular weight | 172.15 g/mol |
| IUPAC name | octan-3-yl acetate |
| InChIKey | STZUZYMKSMSTOU-UHFFFAOYSA-N |
| UNII (FDA) | 8M41FR2J6W |
| ChEBI ID | CHEBI:179545 |
| FEMA number | 3583 |
| JECFA number | 313 |
| Molecular Weight | 172.26 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 172.146329876 |
| Monoisotopic Mass | 172.146329876 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 12 |
| Boiling Point | 187 °C |
|---|---|
| Density | 0.856-0.860 |
| Refractive Index | 1.414-1.419 |
3-Octyl acetate; octan-3-yl acetate; 3-Octanol, acetate; 4864-61-3; 3-Octanol acetate; Oct-3-yl ethanoate; 1-Ethyl hexyl acetate; Amyl ethyl carbinyl acetate; 3-Octanol, 3-acetate; FEMA No. 3583; 3-Octyl acetate (natural); UNII-8M41FR2J6W; 3-OCTANYL ACETATE; EINECS 225-471-1; 8M41FR2J6W; Octan-3-ol acetate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 891-JECFA 51/59 |
|---|---|
| GHS notification summary | 8.4% (122 / 1451) |
| GHS notification summary | 8.4% (122 / 1451) |
|---|---|
| Reported hazard statements | H226 (88.6%) |
This chemical does not meet GHS hazard criteria for 8.4% (122 of 1451) of reports.
H226 (88.6%): Flammable liquid and vapor [Warning Flammable liquids]
3-octyl acetate is identified by CAS 4864-61-3, molecular formula C10H20O2 and molecular weight 172.15 g/mol. UNII 8M41FR2J6W; ChEBI 179545; InChIKey STZUZYMKSMSTOU-UHFFFAOYSA-N. Boiling Point: 187 °C; Density: 0.856-0.860; Refractive Index: 1.414-1.419.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙酸3-辛酯