isobutyl caproate (CAS 105-79-3) — formula C10H20O2, molecular weight 172.15 g/mol; category organic chemicals.
isobutyl caproate (CAS 105-79-3) 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 200 °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 | 105-79-3 |
|---|---|
| Molecular Formula | C10H20O2 |
| Molecular Weight | 172.15 g/mol |
| Boiling Point | 200 °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.
isobutyl caproate is a carbon-based organic compound with CAS registry number 105-79-3 and molecular formula C10H20O2 (molecular weight 172.15 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 105-79-3
Its molecular formula C10H20O2 comprises 10 C, 20 H, 2 O atoms.
Also known as: isobutyl caproate · 己酸异丁酯
Category: organic chemicals / food flavors
The CAS registry number of isobutyl caproate is 105-79-3.
Molecular formula C10H20O2, molecular weight 172.15 g/mol.
It is also registered under: isobutyl caproate, 己酸异丁酯.
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 isobutyl caproate (CAS 105-79-3), compiled from public chemistry databases.
| CAS Registry Number | 105-79-3 |
|---|---|
| PubChem CID | 7775 |
| Molecular formula | C10H20O2 |
| Molecular weight | 172.15 g/mol |
| IUPAC name | 2-methylpropyl hexanoate |
| InChIKey | UXUPPWPIGVTVQI-UHFFFAOYSA-N |
| UNII (FDA) | 2A3X4W9GZ0 |
| ChEBI ID | CHEBI:87421 |
| FEMA number | 2202 |
| JECFA number | 166 |
| 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 | 200 °C |
|---|---|
| Density | 0.854-0.858 |
| Refractive Index | 1.410-1.418 |
Isobutyl hexanoate; Isobutyl caproate; 2-METHYLPROPYL HEXANOATE; Hexanoic acid, 2-methylpropyl ester; FEMA No. 2202; Isobutyl caproate (natural); UNII-2A3X4W9GZ0; EINECS 203-332-6; 2A3X4W9GZ0; DTXSID0059322; CHEBI:87421; AI3-24254; ISOBUTYL HEXANOATE [FCC]; FEMA 2202; ISOBUTYL HEXANOATE [FHFI]; Isobutyl caproic acid
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green, Spice No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 78.2% (147 / 188) |
| GHS notification summary | 78.2% (147 / 188) |
|---|---|
| Reported hazard statements | H315 (21.3%), H319 (21.8%) |
This chemical does not meet GHS hazard criteria for 78.2% (147 of 188) of all reports.
H315 (21.3%): Causes skin irritation [Warning Skin corrosion/irritation]
isobutyl caproate is identified by CAS 105-79-3, molecular formula C10H20O2 and molecular weight 172.15 g/mol. UNII 2A3X4W9GZ0; ChEBI 87421; InChIKey UXUPPWPIGVTVQI-UHFFFAOYSA-N. Boiling Point: 200 °C; Density: 0.854-0.858; Refractive Index: 1.410-1.418.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 己酸异丁酯