十一烯酸甲酯（CAS 111-81-9）：分子式 C12H22O2、分子量 198.30。
| CAS号 | 111-81-9 |
|---|---|
| 分子式 | C12H22O2 |
| 分子量 | 198.30 |
| 熔点 | 27.5 °C |
| 沸点 | 245.00 to 248.00 °C. @ 760.00 mm Hg |
| LogP | 4.2 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 10-Undecenoic acid、methyl ester: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 10-Undecenoic acid、methyl ester: ACTIVE。
十一烯酸甲酯 是一种化工化合物，登记 CAS 号为 111-81-9，分子式 C12H22O2（分子量 198.30）。
登记 CAS 号：111-81-9
其分子式 C12H22O2 由 12 个碳、22 个氢、2 个氧 组成。
别名/同义词：十一烯酸甲酯 · undecylenic acid methyl ester
十一烯酸甲酯 的 CAS 登记号为 111-81-9。
分子式 C12H22O2，分子量 198.30。
别名/同义词：十一烯酸甲酯、undecylenic acid methyl ester。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 10-Undecenoic acid、methyl ester: ACTIVE。
十一烯酸甲酯（CAS 111-81-9）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 111-81-9 |
|---|---|
| PubChem CID | 8138 |
| Molecular formula | C12H22O2 |
| IUPAC name | methyl undec-10-enoate |
| UNII (FDA) | RWN4DY6S6T |
| FEMA number | 4253 |
| JECFA number | 1639 |
| Molecular Weight | 198.30 |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Exact Mass | 198.161979940 |
| Monoisotopic Mass | 198.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 245.00 to 248.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 243-247 °C |
| Melting Point | 27.5 °C |
| Density | 0.885-0.891 (20 °C) |
| Refractive Index | 1.436-1.442 |
Methyl undec-10-enoate; 111-81-9; METHYL 10-UNDECENOATE; Methyl undecylenate; Methyl undecenate; Methyl undecenoate; 10-Undecenoic acid, methyl ester; 10-Undecenoic acid methyl ester; methyl 10-undecylenate; DTXSID5046566; UNII-RWN4DY6S6T; RWN4DY6S6T; NSC-1273; Methyl undec-10-enylate; EINECS 203-910-8; 10-HENDECENOIC ACID METHYL ESTER
| Regulatory & Food Contact | FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Floral Not considered TRS 1051-JECFA 97/23 |
|---|
| Reported hazard statements | H302 (100%), H332 (100%), H411 (91.4%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
undecylenic acid methyl ester · CAS 111-81-9 · C12H22O2. UNII RWN4DY6S6T. Boiling Point: 245.00 to 248.00 °C. @ 760.00 mm Hg; Boiling Point: 243-247 °C; Melting Point: 27.5 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: undecylenic acid methyl ester