茉莉酸甲酯（CAS 1211-29-6）：分子式 C13H20O3、分子量 224.30。
| CAS号 | 1211-29-6 |
|---|---|
| 分子式 | C13H20O3 |
| 分子量 | 224.30 |
| 熔点 | 25 °C |
| 沸点 | BP: 110 °C at 0.2 mm Hg |
| LogP | 1.9 |
| 应用领域 | Uses: Main aroma constituent of the natural plant growth inhibitor jasmonic acid、Used in perfumes、[Merck Index] Used as flavoring agent or adjuvant、[FDA]、Jasmonates are plant stress hormones. These small hydrophobic compounds exhibit anti-cancer activities、in vitro and in vivo、against cancer cells of various histological origins. ...、Jasminum officinale L. var. grandiflorum ... is a folk medicine used for the treatment of hepatits in south of China...、In perfumes、Methyl jasmonate extends shelf life and reduces microbial contamination of fresh-cut celery and peppers.、Reported uses (ppm):、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association) [Table#8096]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Methods of Manufacturing: Can be isolated from jasmine oil、synthetically it can be prepared (probably in the trans-form) from muconic acid via the methyl-3-oxo-cyclopentyl acetate.、Isolated from jasmin flowers、General Manufacturing Information: Cyclopentaneacetic acid、3-oxo-2-(2Z)-2-penten-1-yl-、methyl ester、(1R、2R)-: ACTIVE、Cyclopentaneacetic acid、2R)-rel-: INACTIVE、The main volatile component of jasmin oil is benzyl acetate. However、minor components such as indole、cis-jasmone、and methyl jasmonate contribute strongly to the typical jasmin fragrance.、Methyl jasmonate is a potentially promising novel topical treatment for pr、e-、cancerous and cancerous skin lesions... |
登记用途：Uses: Main aroma constituent of the natural plant growth inhibitor jasmonic acid、Used in perfumes、[Merck Index] Used as flavoring agent or adjuvant、[FDA]、Jasmonates are plant stress hormones. These small hydrophobic compounds exhibit anti-cancer activities、in vitro and in vivo、against cancer cells of various histological origins. ...、Jasminum officinale L. var. grandiflorum ... is a folk medicine used for the treatment of hepatits in south of China...、In perfumes、Methyl jasmonate extends shelf life and reduces microbial contamination of fresh-cut celery and peppers.、Reported uses (ppm):、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association) [Table#8096]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Methods of Manufacturing: Can be isolated from jasmine oil、synthetically it can be prepared (probably in the trans-form) from muconic acid via the methyl-3-oxo-cyclopentyl acetate.、Isolated from jasmin flowers、General Manufacturing Information: Cyclopentaneacetic acid、3-oxo-2-(2Z)-2-penten-1-yl-、methyl ester、(1R、2R)-: ACTIVE、Cyclopentaneacetic acid、2R)-rel-: INACTIVE、The main volatile component of jasmin oil is benzyl acetate. However、minor components such as indole、cis-jasmone、and methyl jasmonate contribute strongly to the typical jasmin fragrance.、Methyl jasmonate is a potentially promising novel topical treatment for pr、e-、cancerous and cancerous skin lesions...。
茉莉酸甲酯 是一种化工化合物，登记 CAS 号为 1211-29-6，分子式 C13H20O3（分子量 224.30）。
登记 CAS 号：1211-29-6
其分子式 C13H20O3 由 13 个碳、20 个氢、3 个氧 组成。
别名/同义词：茉莉酸甲酯 · METHYL JASMONATE
茉莉酸甲酯 的 CAS 登记号为 1211-29-6。
分子式 C13H20O3，分子量 224.30。
别名/同义词：茉莉酸甲酯、METHYL JASMONATE。
登记用途：Uses: Main aroma constituent of the natural plant growth inhibitor jasmonic acid、Used in perfumes、[Merck Index] Used as flavoring agent or adjuvant、[FDA]、Jasmonates are plant stress hormones. These small hydrophobic compounds exhibit anti-cancer activities、in vitro and in vivo、against cancer cells of various histological origins. ...、Jasminum officinale L. var. grandiflorum ... is a folk medicine used for the treatment of hepatits in south of China...、In perfumes、Methyl jasmonate extends shelf life and reduces microbial contamination of fresh-cut celery and peppers.、Reported uses (ppm):、Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association) [Table#8096]、Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Methods of Manufacturing: Can be isolated from jasmine oil、synthetically it can be prepared (probably in the trans-form) from muconic acid via the methyl-3-oxo-cyclopentyl acetate.、Isolated from jasmin flowers、General Manufacturing Information: Cyclopentaneacetic acid、3-oxo-2-(2Z)-2-penten-1-yl-、methyl ester、(1R、2R)-: ACTIVE、Cyclopentaneacetic acid、2R)-rel-: INACTIVE、The main volatile component of jasmin oil is benzyl acetate. However、minor components such as indole、cis-jasmone、and methyl jasmonate contribute strongly to the typical jasmin fragrance.、Methyl jasmonate is a potentially promising novel topical treatment for pr、e-、cancerous and cancerous skin lesions...。
茉莉酸甲酯（CAS 1211-29-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 1211-29-6 |
|---|---|
| PubChem CID | 5281929 |
| Molecular formula | C13H20O3 |
| IUPAC name | methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate |
| UNII (FDA) | 900N171A0F |
| FEMA number | 3410 |
| JECFA number | 1400 |
| Molecular Weight | 224.30 |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 224.14124450 |
| Monoisotopic Mass | 224.14124450 |
| Topological Polar Surface Area | 43.4 |
| Heavy Atom Count | 16 |
| Boiling Point | BP: 110 °C at 0.2 mm Hg |
|---|---|
| Boiling Point | 110.00 °C. @ 0.20 mm Hg |
| Boiling Point | 94 °C (0.05 mm Hg) |
| Melting Point | 25 °C |
| Density | 1.017-1.023 |
| Refractive Index | 1.470-1.476 |
Methyl jasmonate; 1211-29-6; (-)-Methyl jasmonate; Methyl cis-jasmonate; Jasmonic acid methyl ester; (-)-Jasmonic acid methyl ester; methyl (-)-jasmonate; methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate; CHEBI:15929; Methyl (2-pent-2-enyl-3-oxo-1-cyclopentyl)acetate; 900N171A0F; 3-oxo-2-(2-pentenyl)cyclopentaneacetic acid methyl ester; DTXSID3036731; Cyclopentaneacetic acid, 3-oxo-trans-2-(cis-2-pentenyl), methyl ester; Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, (Z)-trans-; Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate, (1R-(1alpha,2beta(Z)))-
| Regulatory & Food Contact | FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Floral No safety concern at current levels of intake when used as a flavouring agent TRS 928-JECFA 63/86 |
|---|---|
| GHS notification summary | 100% (89 / 89) |
| GHS notification summary | 100% (89 / 89) |
|---|---|
| Reported hazard statements | H317 (100%) |
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.
METHYL JASMONATE · CAS 1211-29-6 · C13H20O3. UNII 900N171A0F. Boiling Point: BP: 110 °C at 0.2 mm Hg; Boiling Point: 110.00 °C. @ 0.20 mm Hg; Boiling Point: 94 °C (0.05 mm Hg).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: METHYL JASMONATE