2-辛炔酸甲酯（CAS 111-12-6）：分子式 C9H14O2、分子量 154.21；类别 有机化学品。
2-辛炔酸甲酯（CAS 111-12-6）是一种有机化学品原料。其分子式 C9H14O2 由 9 个碳、14 个氢、2 个氧 组成。 分子量约为 154.21。公开物性数据显示其沸点约 217.00 to 220.00 °C. @ 760.00 mm Hg、LogP 约 3.2。作为化工品采购代理与分销渠道，我们可在国内及跨境渠道为2-辛炔酸甲酯寻源比价，并安排小批量试样与批次采购；下单前提供完整 COA、质检报告与合规文件，验收以批次 COA 为准。
登记用途：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)。
2-辛炔酸甲酯 是一种以碳骨架为基础的有机化合物，登记 CAS 号为 111-12-6，分子式 C9H14O2（分子量 154.21），归属于有机化学品大类化工原料。
登记 CAS 号：111-12-6
其分子式 C9H14O2 由 9 个碳、14 个氢、2 个氧 组成。
别名/同义词：2-辛炔酸甲酯 · Methyl 2-octynoate
所属分类：有机化学品
2-辛炔酸甲酯 的 CAS 登记号为 111-12-6。
分子式 C9H14O2，分子量 154.21。
别名/同义词：2-辛炔酸甲酯、Methyl 2-octynoate。
登记用途：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)。
所属分类：有机化学品。
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包装按订单确认，从实验室小包装到吨袋大货，随订单安排而非在页面上写死。每批随货附 COA 分析证书，可另提供 MSDS；若终端用途带有法规限度（食品接触、药品或化妆品），请在询价时说明执行标准，等级按该标准确定。
2-辛炔酸甲酯（CAS 111-12-6）的公开数据库记录，列此仅供独立核对。
| 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]
| 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 |
|---|
| 沸点 | 217.00 to 220.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 215-217 °C |
| 密度 | 0.919-0.924 |
| 折射率 | 1.443-1.449 |
| CAS Registry Number | 111-12-6 |
|---|---|
| PubChem CID | 8092 |
| 分子式 | C9H14O2 |
| IUPAC 名称 | methyl oct-2-ynoate |
| UNII（FDA） | 0TTP6YT2T3 |
| FEMA 编号 | 2729 |
| JECFA 编号 | 1357 |
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
| 分子量 | 154.21 |
|---|---|
| XLogP3 | 3.2 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 4 |
| 精确质量 | 154.099379685 |
| 单同位素质量 | 154.099379685 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
Methyl 2-octynoate · CAS 111-12-6 · C9H14O2. UNII 0TTP6YT2T3. 沸点: 217.00 to 220.00 °C. @ 760.00 mm Hg; 沸点: 215-217 °C; 密度: 0.919-0.924.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Methyl 2-octynoate