METHYL CAPRYLATE (CAS 111-11-5) — formula C9H18O2, molecular weight 158.13 g/mol; category organic chemicals.
METHYL CAPRYLATE (CAS 111-11-5) is a chemical raw material in the organic chemicals category. Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms. Its molecular weight is about 158.13 g/mol. Reported physicochemical data: melting point around -40 °C, boiling point around 192.9 °C @ 760 mm Hg, LogP about 3.6. 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 | 111-11-5 |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13 g/mol |
| Melting Point | -40 °C |
| Boiling Point | 192.9 °C @ 760 mm Hg |
| LogP | 3.6 |
| Applications | flavoring ingredient and as an intermediate for caprylic acid detergents, emulsifiers, wetting agents, stabilizers, plasticizers, resins |
| Category | Organic Chemicals|Flavors |
Documented applications: flavoring ingredient and as an intermediate for caprylic acid detergents, emulsifiers, wetting agents, stabilizers, plasticizers, resins.
METHYL CAPRYLATE is a carbon-based organic compound with CAS registry number 111-11-5 and molecular formula C9H18O2 (molecular weight 158.13 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 111-11-5
Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms.
Also known as: METHYL CAPRYLATE · METHYL OCTANOATE
Category: organic chemicals / food flavors
The CAS registry number of METHYL CAPRYLATE is 111-11-5.
Molecular formula C9H18O2, molecular weight 158.13 g/mol.
It is also registered under: METHYL CAPRYLATE, METHYL OCTANOATE.
Recorded applications: flavoring ingredient and as an intermediate for caprylic acid detergents, emulsifiers, wetting agents, stabilizers, plasticizers, resins.
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 METHYL CAPRYLATE (CAS 111-11-5), compiled from public chemistry databases.
| CAS Registry Number | 111-11-5 |
|---|---|
| PubChem CID | 8091 |
| Molecular formula | C9H18O2 |
| Molecular weight | 158.13 g/mol |
| IUPAC name | methyl octanoate |
| InChIKey | JGHZJRVDZXSNKQ-UHFFFAOYSA-N |
| UNII (FDA) | 7MO740X6QL |
| ChEBI ID | CHEBI:87432 |
| FEMA number | 2728 |
| JECFA number | 173 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 192.9 °C @ 760 mm Hg |
|---|---|
| Boiling Point | 194.00 to 195.00 °C. @ 760.00 mm Hg |
| Boiling Point | 194-195 °C |
| Melting Point | -40 °C |
| Solubility | In water, 64.4 mg/l @ 20 °C |
| Solubility | 0.0644 mg/mL at 20 °C |
| Density | 0.8775 @ 20 °C/4 °C |
| Density | 0.875-0.890 |
| Refractive Index | 1.413-1.422 |
| Formulations/Preparations | Grades: technical; 99.8% |
Methyl octanoate; 111-11-5; Methyl caprylate; Caprylic acid methyl ester; Methyl n-octanoate; Octanoic acid methyl ester; OCTANOIC ACID, METHYL ESTER; Uniphat A20; Methyl octylate; FEMA No. 2728; DTXSID2026864; formyl octanoate; 7MO740X6QL; DTXCID606864; CHEBI:87432; NSC-3710
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit, Orange, Wax, Wine No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 11.3% (206 / 1827) |
| GHS notification summary | 11.3% (206 / 1827) |
|---|---|
| Reported hazard statements | H317 (88%), H227 |
This chemical does not meet GHS hazard criteria for 11.3% (206 of 1827) of reports.
H317 (88%): May cause an allergic skin reaction [Warning Sensitization, Skin]
METHYL CAPRYLATE is identified by CAS 111-11-5, molecular formula C9H18O2 and molecular weight 158.13 g/mol. UNII 7MO740X6QL; ChEBI 87432; InChIKey JGHZJRVDZXSNKQ-UHFFFAOYSA-N. Boiling Point: 192.9 °C @ 760 mm Hg; Boiling Point: 194.00 to 195.00 °C. @ 760.00 mm Hg; Boiling Point: 194-195 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
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