Methyl 2-nonynoate (CAS 111-80-8) — formula C10H16O2, molecular weight 168.23; category organic chemicals.
Methyl 2-nonynoate (CAS 111-80-8) is a organic chemicals. Its molecular formula C10H16O2 comprises 10 C, 16 H, 2 O atoms. Its molecular weight is about 168.23. Reported physicochemical data: boiling point around 121.00 to 122.00 °C. @ 20.00 mm Hg, LogP about 3.7. 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 | 111-80-8 |
|---|---|
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.23 |
| Boiling Point | 121.00 to 122.00 °C. @ 20.00 mm Hg |
| LogP | 3.7 |
| 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 |
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.
Methyl 2-nonynoate is a carbon-based organic compound with CAS registry number 111-80-8 and molecular formula C10H16O2 (molecular weight 168.23), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 111-80-8
Its molecular formula C10H16O2 comprises 10 C, 16 H, 2 O atoms.
Also known as: Methyl 2-nonynoate · 辛炔羧酸甲酯 · Methyl octyne carbonate
Category: organic chemicals
The CAS registry number of Methyl 2-nonynoate is 111-80-8.
Molecular formula C10H16O2, molecular weight 168.23.
It is also registered under: Methyl 2-nonynoate, 辛炔羧酸甲酯, Methyl octyne carbonate.
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.
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 2-nonynoate (CAS 111-80-8), compiled from public chemistry databases.
| CAS Registry Number | 111-80-8 |
|---|---|
| PubChem CID | 8137 |
| Molecular formula | C10H16O2 |
| Molecular weight | 168.12 g/mol |
| IUPAC name | methyl non-2-ynoate |
| InChIKey | NTLJTUMJJWVCTL-UHFFFAOYSA-N |
| UNII (FDA) | 8RN66UR57V |
| ChEBI ID | CHEBI:51749 |
| FEMA number | 2726 |
| JECFA number | 1356 |
| Molecular Weight | 168.23 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 168.115029749 |
| Monoisotopic Mass | 168.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 12 |
| Boiling Point | 121.00 to 122.00 °C. @ 20.00 mm Hg |
|---|---|
| Boiling Point | 121-122 °C (20 mm Hg) |
| Density | 0.913-0.916 |
| Refractive Index | 1.445-1.451 |
Methyl 2-nonynoate; Methyl non-2-ynoate; 111-80-8; Methyl octine carbonate; 2-Nonynoic acid methyl ester; 2-NONYNOIC ACID, METHYL ESTER; Methyl octyne carbonate; Methyloctyne carboxylate; Methyloctyne carbonate; Octynecarboxylic acid, methyl ester; FEMA No. 2726; DTXSID3047639; 8RN66UR57V; NSC-72102; DTXCID1027639; CHEBI:51749
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (99.6%), H315 (74.8%), H317 (97.8%), H400 (74.9%), H412 (74.9%) |
|---|
H302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (74.8%): Causes skin irritation [Warning Skin corrosion/irritation]
Methyl octyne carbonate is identified by CAS 111-80-8, molecular formula C10H16O2 and molecular weight 168.12 g/mol. UNII 8RN66UR57V; ChEBI 51749; InChIKey NTLJTUMJJWVCTL-UHFFFAOYSA-N. Boiling Point: 121.00 to 122.00 °C. @ 20.00 mm Hg; Boiling Point: 121-122 °C (20 mm Hg); Density: 0.913-0.916.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 辛炔羧酸甲酯