Methyl 2-octynoate (CAS 111-12-6) — formula C9H14O2, molecular weight 154.21; category organic chemicals.
Methyl 2-octynoate (CAS 111-12-6) is a chemical raw material in the organic chemicals category. Its molecular formula C9H14O2 comprises 9 C, 14 H, 2 O atoms. Its molecular weight is about 154.21. Reported physicochemical data: boiling point around 217.00 to 220.00 °C. @ 760.00 mm Hg, LogP about 3.2. 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 | 111-12-6 |
|---|---|
| Molecular Formula | C9H14O2 |
| Molecular Weight | 154.21 |
| Boiling Point | 217.00 to 220.00 °C. @ 760.00 mm Hg |
| LogP | 3.2 |
| Applications | Fragrance Ingredients, Flavouring Agent, Flavoring Agents, Household Products: Cosmetics product ingredient: Methyl 2-Octynoate (Methyl Oct-2-ynoate, Methyl heptine carbonate), Methyl 2-Octynoate is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223/2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million) |
| Category | Organic Chemicals |
Documented applications: Fragrance Ingredients, Flavouring Agent, Flavoring Agents, Household Products: Cosmetics product ingredient: Methyl 2-Octynoate (Methyl Oct-2-ynoate, Methyl heptine carbonate), Methyl 2-Octynoate is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223/2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million).
Methyl 2-octynoate is a carbon-based organic compound with CAS registry number 111-12-6 and molecular formula C9H14O2 (molecular weight 154.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 111-12-6
Its molecular formula C9H14O2 comprises 9 C, 14 H, 2 O atoms.
Also known as: Methyl 2-octynoate · 2-辛炔酸甲酯
Category: organic chemicals
The CAS registry number of Methyl 2-octynoate is 111-12-6.
Molecular formula C9H14O2, molecular weight 154.21.
It is also registered under: Methyl 2-octynoate, 2-辛炔酸甲酯.
Recorded applications: Fragrance Ingredients, Flavouring Agent, Flavoring Agents, Household Products: Cosmetics product ingredient: Methyl 2-Octynoate (Methyl Oct-2-ynoate, Methyl heptine carbonate), Methyl 2-Octynoate is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223/2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million).
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-octynoate (CAS 111-12-6), compiled from public chemistry databases.
| 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 |
| 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 |
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
| 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 · 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-辛炔酸甲酯