3-甲基-丁酸-1-乙基-1,5-二甲基-4-己烯酯（CAS 1118-27-0）：分子式 C15H26O2、分子量 238.37。
| CAS号 | 1118-27-0 |
|---|---|
| 分子式 | C15H26O2 |
| 分子量 | 238.37 |
| 沸点 | 188.00 °C. @ 760.00 mm Hg |
| LogP | 4.6 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Butanoic acid、3-methyl-、1-ethenyl-1、5-dimethyl-4-hexen-1-yl ester: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Butanoic acid、3-methyl-、1-ethenyl-1、5-dimethyl-4-hexen-1-yl ester: ACTIVE。
3-甲基-丁酸-1-乙基-1,5-二甲基-4-己烯酯 是一种化工化合物，登记 CAS 号为 1118-27-0，分子式 C15H26O2（分子量 238.37）。
登记 CAS 号：1118-27-0
其分子式 C15H26O2 由 15 个碳、26 个氢、2 个氧 组成。
别名/同义词：3-甲基-丁酸-1-乙基-1,5-二甲基-4-己烯酯 · linalyl isovalerate
3-甲基-丁酸-1-乙基-1,5-二甲基-4-己烯酯 的 CAS 登记号为 1118-27-0。
分子式 C15H26O2，分子量 238.37。
别名/同义词：3-甲基-丁酸-1-乙基-1,5-二甲基-4-己烯酯、linalyl isovalerate。
登记用途：Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Butanoic acid、3-methyl-、1-ethenyl-1、5-dimethyl-4-hexen-1-yl ester: ACTIVE。
3-甲基-丁酸-1-乙基-1,5-二甲基-4-己烯酯（CAS 1118-27-0）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 1118-27-0 |
|---|---|
| PubChem CID | 240119 |
| Molecular formula | C15H26O2 |
| Molecular weight | 238.19 g/mol |
| IUPAC name | 3,7-dimethylocta-1,6-dien-3-yl 3-methylbutanoate |
| InChIKey | WCDGWAIZRYMVOW-UHFFFAOYSA-N |
| UNII (FDA) | 1X8S4K3UQ9 |
| FEMA number | 2646 |
| JECFA number | 363 |
| Molecular Weight | 238.37 |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 238.193280068 |
| Monoisotopic Mass | 238.193280068 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 17 |
| Boiling Point | 188.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 188 °C |
| Density | 0.880-0.888 |
| Refractive Index | 1.448-1.453 |
Linalyl isovalerate; 1118-27-0; Linalyl isopentanoate; 3,7-dimethylocta-1,6-dien-3-yl 3-methylbutanoate; Isovaleric acid, linalyl ester; Butanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester; FEMA No. 2646; DTXSID5047160; 3,7-Dimethyl-1,6-octadien-3-yl isovalerate; 1X8S4K3UQ9; Butanoic acid, 3-methyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester; Isovaleric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester; DTXCID3027160; RefChem:487697; 214-259-4; Linalyl 3-methylbutanoate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Apple, Citrus No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 85.5% (236 / 276) |
| GHS notification summary | 85.5% (236 / 276) |
|---|---|
| Reported hazard statements | H315 (14.5%), H319 (14.5%), H335 (14.5%) |
This chemical does not meet GHS hazard criteria for 85.5% (236 of 276) of all reports.
H315 (14.5%): Causes skin irritation [Warning Skin corrosion/irritation]
linalyl isovalerate is identified by CAS 1118-27-0, molecular formula C15H26O2 and molecular weight 238.19 g/mol. UNII 1X8S4K3UQ9; InChIKey WCDGWAIZRYMVOW-UHFFFAOYSA-N. Boiling Point: 188.00 °C. @ 760.00 mm Hg; Boiling Point: 188 °C; Density: 0.880-0.888.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: linalyl isovalerate