异丁酸芳樟酯（CAS 78-35-3）：分子式 C14H24O2、分子量 224.34。
| CAS号 | 78-35-3 |
|---|---|
| 分子式 | C14H24O2 |
| 分子量 | 224.34 |
| 熔点 | < 25 °C |
| 沸点 | 228.00 to 230.00 °C. @ 760.00 mm Hg |
| LogP | 4.3 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Propanoic acid、2-methyl-、1-ethenyl-1、5-dimethyl-4-hexen-1-yl 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: Propanoic acid、2-methyl-、1-ethenyl-1、5-dimethyl-4-hexen-1-yl ester: ACTIVE。
异丁酸芳樟酯 是一种化工化合物，登记 CAS 号为 78-35-3，分子式 C14H24O2（分子量 224.34）。
登记 CAS 号：78-35-3
其分子式 C14H24O2 由 14 个碳、24 个氢、2 个氧 组成。
别名/同义词：异丁酸芳樟酯 · Linalyl isobutyrate
异丁酸芳樟酯 的 CAS 登记号为 78-35-3。
分子式 C14H24O2，分子量 224.34。
别名/同义词：异丁酸芳樟酯、Linalyl isobutyrate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Propanoic acid、2-methyl-、1-ethenyl-1、5-dimethyl-4-hexen-1-yl ester: ACTIVE。
异丁酸芳樟酯（CAS 78-35-3）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 78-35-3 |
|---|---|
| PubChem CID | 6532 |
| Molecular formula | C14H24O2 |
| Molecular weight | 224.18 g/mol |
| IUPAC name | 3,7-dimethylocta-1,6-dien-3-yl 2-methylpropanoate |
| InChIKey | JZIARAQCPRDGAC-UHFFFAOYSA-N |
| UNII (FDA) | 8867Y4G46L |
| ChEBI ID | CHEBI:171776 |
| FEMA number | 2640 |
| JECFA number | 362 |
| Molecular Weight | 224.34 |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 224.177630004 |
| Monoisotopic Mass | 224.177630004 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 16 |
| Boiling Point | 228.00 to 230.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 230 °C |
| Melting Point | < 25 °C |
| Solubility | 10 mg/L @ 20 °C (exp) |
| Density | 0.882-0.888 |
| Refractive Index | 1.446-1.451 |
Linalyl isobutyrate; 78-35-3; Linalool isobutyrate; Isobutyric acid, linalyl ester; FEMA No. 2640; 1,6-Octadien-3-ol, 3,7-dimethyl-, isobutyrate; 3,7-Dimethyl-1,6-octadien-3-yl isobutyrate; DTXSID6047490; ISOBUTYRIC ACID, 1,5-DIMETHYL-1-VINYL-4-HEXENYL ESTER; Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester; NSC-46145; 8867Y4G46L; DTXCID4027490; Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester; RefChem:487696; 201-108-2
| 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 | 17.1% (276 / 1615) |
| GHS notification summary | 17.1% (276 / 1615) |
|---|---|
| Reported hazard statements | H411 (82.9%) |
This chemical does not meet GHS hazard criteria for 17.1% (276 of 1615) of reports.
H411 (82.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Linalyl isobutyrate is identified by CAS 78-35-3, molecular formula C14H24O2 and molecular weight 224.18 g/mol. UNII 8867Y4G46L; ChEBI 171776; InChIKey JZIARAQCPRDGAC-UHFFFAOYSA-N. Boiling Point: 228.00 to 230.00 °C. @ 760.00 mm Hg; Boiling Point: 230 °C; Melting Point: < 25 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Linalyl isobutyrate