Methyl 3-nonenoate (CAS 13481-87-3) — formula C10H18O2, molecular weight 170.13 g/mol.
| CAS Number | 13481-87-3 |
|---|---|
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.13 g/mol |
| Boiling Point | 90 °C (18 mmHg) |
| LogP | 3.2 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 3-Nonenoic acid, methyl ester: ACTIVE |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 3-Nonenoic acid, methyl ester: ACTIVE.
Methyl 3-nonenoate is a chemical compound with CAS registry number 13481-87-3 and molecular formula C10H18O2 (molecular weight 170.13 g/mol).
CAS number: 13481-87-3
Its molecular formula C10H18O2 comprises 10 C, 18 H, 2 O atoms.
Also known as: Methyl 3-nonenoate · Methyl trans-3-nonsenoate
The CAS registry number of Methyl 3-nonenoate is 13481-87-3.
Molecular formula C10H18O2, molecular weight 170.13 g/mol.
It is also registered under: Methyl 3-nonenoate, Methyl trans-3-nonsenoate.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 3-Nonenoic acid, methyl ester: ACTIVE.
Independent reference data for Methyl 3-nonenoate (CAS 13481-87-3), compiled from public chemistry databases.
| CAS 号 | 13481-87-3 |
|---|---|
| PubChem CID | 61631 |
| 分子式 | C10H18O2 |
| 分子量 | 170.13 g/mol |
| IUPAC 名称 | methyl non-3-enoate |
| InChIKey | MTDCXFZGUVZRSQ-UHFFFAOYSA-N |
| UNII（FDA） | 2M3M6634B7 |
| FEMA 编号 | 3710 |
| JECFA 编号 | 340 |
| Molecular Weight | 170.25 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 170.130679813 |
| Monoisotopic Mass | 170.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 12 |
| Boiling Point | 90 °C (18 mmHg) |
|---|---|
| Density | 0.880-0.900 (20 °C) |
| Refractive Index | 1.432-1.442 |
Methyl 3-nonenoate; Methyl non-3-enoate; 13481-87-3; 3-Nonenoic acid, methyl ester; DTXSID1047659; 2M3M6634B7; DTXCID9027659; METHYL 3-NONENOATE [FHFI]; RefChem:815597; methyl (E)-3-nonenoate; EINECS 236-786-9; SCHEMBL874553; CHEMBL3183304; SCHEMBL16288317; UNII-2M3M6634B7; DB-042253
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 100% (93 / 93) |
| GHS 通报统计 | 100% (93 / 93) |
|---|
壬烯酸甲酯 的 CAS 号为 13481-87-3，分子式 C10H18O2，分子量 170.13 g/mol。 UNII 2M3M6634B7; InChIKey MTDCXFZGUVZRSQ-UHFFFAOYSA-N. Boiling Point: 90 °C (18 mmHg); Density: 0.880-0.900 (20 °C); Refractive Index: 1.432-1.442.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: Methyl 3-nonenoate