7-甲基辛酸（CAS 693-19-6）：分子式 C9H18O2、分子量 158.24。
| CAS号 | 693-19-6 |
|---|---|
| 分子式 | C9H18O2 |
| 分子量 | 158.24 |
| LogP | 3.3 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Household Products: Information on 2 consumer products that contain Isononanoic acid in the following categories is provided:、• Auto Products、General Manufacturing Information: Isononanoic acid: ACTIVE |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Household Products: Information on 2 consumer products that contain Isononanoic acid in the following categories is provided:、• Auto Products、General Manufacturing Information: Isononanoic acid: ACTIVE。
7-甲基辛酸 是一种化工化合物，登记 CAS 号为 693-19-6，分子式 C9H18O2（分子量 158.24）。
登记 CAS 号：693-19-6
其分子式 C9H18O2 由 9 个碳、18 个氢、2 个氧 组成。
别名/同义词：7-甲基辛酸 · 7-Methyloctanoic acid
7-甲基辛酸 的 CAS 登记号为 693-19-6。
分子式 C9H18O2，分子量 158.24。
别名/同义词：7-甲基辛酸、7-Methyloctanoic acid。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Household Products: Information on 2 consumer products that contain Isononanoic acid in the following categories is provided:、• Auto Products、General Manufacturing Information: Isononanoic acid: ACTIVE。
7-甲基辛酸（CAS 693-19-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 693-19-6 |
|---|---|
| PubChem CID | 33635 |
| Molecular formula | C9H18O2 |
| IUPAC name | 7-methyloctanoic acid |
| UNII (FDA) | M3MIU88L6U |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 11 |
7-methyloctanoic acid; ISONONANOIC ACID; 693-19-6; 26896-18-4; isopelargonic acid; Octanoic acid, 7-methyl-; M3MIU88L6U; UNII-M3MIU88L6U; CHEBI:37108; DTXSID10883129; 7-methyl-octanoate; isononanate; isononanoate; isopelargonate; 7-Methylcaprylate; 7-Methyl caprylate
| Regulatory & Food Contact | FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 884-JECFA 49/37 FAS 40-JECFA 49/189 |
|---|---|
| GHS notification summary | 18% (33 / 183) |
| GHS notification summary | 18% (33 / 183) |
|---|---|
| Reported hazard statements | H302 (59%), H315 (24.6%), H318 (58.5%), H319 (23%) |
This chemical does not meet GHS hazard criteria for 18% (33 of 183) of reports.
H302 (59%): Harmful if swallowed [Warning Acute toxicity, oral]
7-Methyloctanoic acid · CAS 693-19-6 · C9H18O2. UNII M3MIU88L6U.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 7-Methyloctanoic acid