4-甲基壬酸（CAS 45019-28-1）：分子式 C10H20O2、分子量 172.26。
| CAS号 | 45019-28-1 |
|---|---|
| 分子式 | C10H20O2 |
| 分子量 | 172.26 |
| 沸点 | 292.00 to 293.00 °C. @ 760.00 mm Hg |
| LogP | 3.6 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Nonanoic acid、4-methyl-: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Nonanoic acid、4-methyl-: ACTIVE。
4-甲基壬酸 是一种化工化合物，登记 CAS 号为 45019-28-1，分子式 C10H20O2（分子量 172.26）。
登记 CAS 号：45019-28-1
其分子式 C10H20O2 由 10 个碳、20 个氢、2 个氧 组成。
别名/同义词：4-甲基壬酸 · 4-Methylnonanoic acid
4-甲基壬酸 的 CAS 登记号为 45019-28-1。
分子式 C10H20O2，分子量 172.26。
别名/同义词：4-甲基壬酸、4-Methylnonanoic acid。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Nonanoic acid、4-methyl-: ACTIVE。
4-甲基壬酸（CAS 45019-28-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 45019-28-1 |
|---|---|
| PubChem CID | 62003 |
| Molecular formula | C10H20O2 |
| Molecular weight | 172.15 g/mol |
| IUPAC name | 4-methylnonanoic acid |
| InChIKey | WQTZCQIRCYSUBQ-UHFFFAOYSA-N |
| UNII (FDA) | 5BKU622F1K |
| ChEBI ID | CHEBI:179535 |
| FEMA number | 3574 |
| JECFA number | 274 |
| Molecular Weight | 172.26 |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 172.146329876 |
| Monoisotopic Mass | 172.146329876 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 12 |
| Boiling Point | 292.00 to 293.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 292-293 °C |
| Density | 0.900-0.909 (20 °C/20 °C) |
| Refractive Index | 1.433-1.44 |
4-Methylnonanoic acid; 45019-28-1; Nonanoic acid, 4-methyl-; 4-Methylpelargonic acid; 4-methyl nonanoic acid; FEMA No. 3574; Methylpelargonic acid; EINECS 256-180-8; UNII-5BKU622F1K; 5BKU622F1K; AI3-30047; DTXSID80866121; 4-METHYLNONANOIC ACID [FHFI]; RefChem:99904; DTXCID40814446; (+-)-4-METHYLNONANOIC ACID
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.1% (1 / 1447) |
| GHS notification summary | 0.1% (1 / 1447) |
|---|---|
| Reported hazard statements | H315 (91.4%), H319 (91.4%) |
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1447) of reports.
H315 (91.4%): Causes skin irritation [Warning Skin corrosion/irritation]
4-Methylnonanoic acid is identified by CAS 45019-28-1, molecular formula C10H20O2 and molecular weight 172.15 g/mol. UNII 5BKU622F1K; ChEBI 179535; InChIKey WQTZCQIRCYSUBQ-UHFFFAOYSA-N. Boiling Point: 292.00 to 293.00 °C. @ 760.00 mm Hg; Boiling Point: 292-293 °C; Density: 0.900-0.909 (20 °C/20 °C).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 4-Methylnonanoic acid