2- 甲基丁酸己酯（CAS 10032-13-0）：分子式 C11H22O2、分子量 186.29。
| CAS号 | 10032-13-0 |
|---|---|
| 分子式 | C11H22O2 |
| 分子量 | 186.29 |
| 沸点 | 215.00 °C. @ 760.00 mm Hg |
| LogP | 3.7 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、3-methyl-、hexyl 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: Butanoic acid、3-methyl-、hexyl ester: ACTIVE。
2- 甲基丁酸己酯 是一种化工化合物，登记 CAS 号为 10032-13-0，分子式 C11H22O2（分子量 186.29）。
登记 CAS 号：10032-13-0
其分子式 C11H22O2 由 11 个碳、22 个氢、2 个氧 组成。
别名/同义词：2- 甲基丁酸己酯 · Hexyl 3-methyl butanoate
2- 甲基丁酸己酯 的 CAS 登记号为 10032-13-0。
分子式 C11H22O2，分子量 186.29。
别名/同义词：2- 甲基丁酸己酯、Hexyl 3-methyl butanoate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、3-methyl-、hexyl ester: ACTIVE。
2- 甲基丁酸己酯（CAS 10032-13-0）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 10032-13-0 |
|---|---|
| PubChem CID | 61455 |
| Molecular formula | C11H22O2 |
| Molecular weight | 186.16 g/mol |
| IUPAC name | hexyl 3-methylbutanoate |
| InChIKey | RSDDTPVXLMVLQE-UHFFFAOYSA-N |
| UNII (FDA) | 5FJ2M7YCY6 |
| ChEBI ID | CHEBI:179380 |
| FEMA number | 3500 |
| JECFA number | 199 |
| Molecular Weight | 186.29 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 186.161979940 |
| Monoisotopic Mass | 186.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 215.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 215 °C |
| Density | 0.853-0.857 |
| Refractive Index | 1.417-1.421 |
Hexyl isovalerate; Hexyl 3-methylbutanoate; 10032-13-0; Hexyl isopentanoate; Butanoic acid, 3-methyl-, hexyl ester; n-Hexyl isopentanoate; Hexyl isovaleriate; Isovaleric acid, hexyl ester; 3-Methylbutyric acid hexyl ester; Hexyl isovalerianate; Hexyl 3-methyl butanoate; FEMA No. 3500; n-Hexyl iso-valerate; 5FJ2M7YCY6; Hexyl 3-methylbutyrate; 3-Methylbutanoic acid hexyl ester
| Regulatory & Food Contact | 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 notification summary | 97.9% (92 / 94) |
| GHS notification summary | 97.9% (92 / 94) |
|---|
This chemical does not meet GHS hazard criteria for 97.9% (92 of 94) of all reports.
Reported as not meeting GHS hazard criteria by 92 of 94 companies (only 2.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Hexyl 3-methyl butanoate is identified by CAS 10032-13-0, molecular formula C11H22O2 and molecular weight 186.16 g/mol. UNII 5FJ2M7YCY6; ChEBI 179380; InChIKey RSDDTPVXLMVLQE-UHFFFAOYSA-N. Boiling Point: 215.00 °C. @ 760.00 mm Hg; Boiling Point: 215 °C; Density: 0.853-0.857.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Hexyl 3-methyl butanoate