Methyl 2-octynoate (CAS No. 111-12-6) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include Organic Chemicals. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.
Organic Chemicals
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The CAS number of Methyl 2-octynoate is 111-12-6.
Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.
Main applications include Organic Chemicals.
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Methyl 2-octynoate · CAS 111-12-6 · C9H14O2. UNII 0TTP6YT2T3. Boiling Point: 217.00 to 220.00 °C. @ 760.00 mm Hg; Boiling Point: 215-217 °C; Density: 0.919-0.924.
| CAS Registry Number | 111-12-6 |
|---|---|
| PubChem CID | 8092 |
| Molecular formula | C9H14O2 |
| IUPAC name | methyl oct-2-ynoate |
| UNII (FDA) | 0TTP6YT2T3 |
| FEMA number | 2729 |
| JECFA number | 1357 |
| Molecular Weight | 154.21 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 154.099379685 |
| Monoisotopic Mass | 154.099379685 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Boiling Point | 217.00 to 220.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 215-217 °C |
| Density | 0.919-0.924 |
| Refractive Index | 1.443-1.449 |
| 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 (97.3%), H317 (97.4%) |
|---|
H302 (97.3%): Harmful if swallowed [Warning Acute toxicity, oral]
H317 (97.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Methyl 2-octynoate; 111-12-6; Methyl heptine carbonate; Folione; Methyl 2-octynate; 2-OCTYNOIC ACID, METHYL ESTER; Vert de violette, artificial; Methyl hept-1-yne-1-carboxylate; Methyl pentylacetylenecarboxylate; FEMA No. 2729; DTXSID9047093; 0TTP6YT2T3; NSC-72098; DTXCID7027093; RefChem:817769; 203-836-6
CAS 111-12-6; molecular formula C9H14O2; molecular weight — g/mol.
Methyl 2-octynoate, 111-12-6, Methyl heptine carbonate, Folione, Methyl 2-octynate, 2-OCTYNOIC ACID, METHYL ESTER.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H302, H317.
Boiling Point: 217.00 to 220.00 °C. @ 760.00 mm Hg; Boiling Point: 215-217 °C; Density: 0.919-0.924; Refractive Index: 1.443-1.449.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.