2-甲基丁酸己酯（CAS 10032-15-2）：分子式 C11H22O2、分子量 186.29。
| CAS号 | 10032-15-2 |
|---|---|
| 分子式 | C11H22O2 |
| 分子量 | 186.29 |
| 沸点 | 105.00 °C. @ 30.00 mm Hg |
| LogP | 3.8 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Household Products: Information on 2 consumer products that contain Hexyl Methylbutyrate in the following categories is provided:、• Auto Products、General Manufacturing Information: Butanoic acid、2-methyl-、hexyl ester: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Household Products: Information on 2 consumer products that contain Hexyl Methylbutyrate in the following categories is provided:、• Auto Products、General Manufacturing Information: Butanoic acid、2-methyl-、hexyl ester: ACTIVE。
2-甲基丁酸己酯 是一种化工化合物，登记 CAS 号为 10032-15-2，分子式 C11H22O2（分子量 186.29）。
登记 CAS 号：10032-15-2
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 2-methylbutyrate
2-甲基丁酸己酯 的 CAS 登记号为 10032-15-2。
分子式 C11H22O2，分子量 186.29。
别名/同义词：2-甲基丁酸己酯、hexyl 2-methylbutyrate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Household Products: Information on 2 consumer products that contain Hexyl Methylbutyrate in the following categories is provided:、• Auto Products、General Manufacturing Information: Butanoic acid、2-methyl-、hexyl ester: ACTIVE。
2-甲基丁酸己酯（CAS 10032-15-2）的独立参考数据，整理自公开化学数据库。
| CAS 号 | 10032-15-2 |
|---|---|
| PubChem CID | 24838 |
| 分子式 | C11H22O2 |
| 分子量 | 186.16 g/mol |
| IUPAC 名称 | hexyl 2-methylbutanoate |
| InChIKey | YUECNVSODFDKOQ-UHFFFAOYSA-N |
| UNII（FDA） | UI17LL5Q4P |
| ChEBI 编号 | CHEBI:156491 |
| FEMA 编号 | 3499 |
| JECFA 编号 | 208 |
| Molecular Weight | 186.29 |
|---|---|
| XLogP3 | 3.8 |
| 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 | 105.00 °C. @ 30.00 mm Hg |
|---|---|
| Boiling Point | 220 °C |
| Density | 0.854-0.859 |
| Refractive Index | 1.416-1.421 |
Hexyl 2-methylbutanoate; 10032-15-2; Hexyl 2-methylbutyrate; Butanoic acid, 2-methyl-, hexyl ester; BUTYRIC ACID, 2-METHYL-, HEXYL ESTER; FEMA No. 3499; 2-Methylbutanoic acid, n-hexyl ester; DTXSID4047599; Hexyl 2-methylbutanoate (natural); EINECS 233-106-2; UI17LL5Q4P; BRN 1856407; AI3-33623; DTXCID2027599; N-HEXYL 2-METHYLBUTYRATE; HEXYL 2-METHYLBUTYRATE [FCC]
| 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 Strawberry No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 59.9% (97 / 162) |
| GHS 通报统计 | 59.9% (97 / 162) |
|---|---|
| 已通报的危害声明 | H226 (14.8%), H411 (24.1%) |
2-甲基丁酸己酯 的 CAS 号为 10032-15-2，分子式 C11H22O2，分子量 186.16 g/mol。 UNII UI17LL5Q4P; ChEBI 156491; InChIKey YUECNVSODFDKOQ-UHFFFAOYSA-N. Boiling Point: 105.00 °C. @ 30.00 mm Hg; Boiling Point: 220 °C; Density: 0.854-0.859.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: hexyl 2-methylbutyrate