异丁酸橙花酯（CAS 2345-24-6）：分子式 C14H24O2、分子量 224.34。
| CAS号 | 2345-24-6 |
|---|---|
| 分子式 | C14H24O2 |
| 分子量 | 224.34 |
| 沸点 | 135.00 °C. @ 13.00 mm Hg |
| LogP | 4.5 |
| 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-、(2Z)-3、7-dimethyl-2、6-octadien-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-、(2Z)-3、7-dimethyl-2、6-octadien-1-yl ester: ACTIVE。
异丁酸橙花酯 是一种化工化合物，登记 CAS 号为 2345-24-6，分子式 C14H24O2（分子量 224.34）。
登记 CAS 号：2345-24-6
其分子式 C14H24O2 由 14 个碳、24 个氢、2 个氧 组成。
别名/同义词：异丁酸橙花酯 · neryl isobutyrate
异丁酸橙花酯 的 CAS 登记号为 2345-24-6。
分子式 C14H24O2，分子量 224.34。
别名/同义词：异丁酸橙花酯、neryl 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-、(2Z)-3、7-dimethyl-2、6-octadien-1-yl ester: ACTIVE。
异丁酸橙花酯（CAS 2345-24-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 2345-24-6 |
|---|---|
| PubChem CID | 5365991 |
| Molecular formula | C14H24O2 |
| Molecular weight | 224.18 g/mol |
| IUPAC name | [(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate |
| InChIKey | OGJYXQFXLSCKTP-LCYFTJDESA-N |
| UNII (FDA) | M9941BHL2O |
| ChEBI ID | CHEBI:171784 |
| FEMA number | 2775 |
| JECFA number | 73 |
| Molecular Weight | 224.34 |
|---|---|
| XLogP3 | 4.5 |
| 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 | 135.00 °C. @ 13.00 mm Hg |
|---|---|
| Boiling Point | 232 °C |
| Density | 0.88-0.90 (d20/4) |
| Refractive Index | 1.451-1.460 |
Neryl isobutyrate; 2345-24-6; FEMA No. 2775; Neryl isobutyrate (natural); Propanoic acid, 2-methyl-, (2Z)-3,7-dimethyl-2,6-octadienyl ester; Propanoic acid, 2-methyl-, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester; Neryl 2-methylpropanoate, cis-; EINECS 219-061-1; cis-3,7-Dimethyl-2,6-octadien-1-yl isobutyrate; M9941BHL2O; 3,7-Dimethyl-2,6-octadienyl isobutyrate, (Z)-; 3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate, cis-; 3,7-Dimethyl-2,6-octadienyl 2-methylpropanoate, (Z)-; [(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate; Isobutyric acid, 3,7-dimethyl-2,6-octadienyl ester, (Z)-; NERYL ISOBUTYRATE [FHFI]
| 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 | 100% (138 / 138) |
| GHS notification summary | 100% (138 / 138) |
|---|
This chemical does not meet GHS hazard criteria for 100% (138 of 138) of all reports.
Reported as not meeting GHS hazard criteria by 138 of 138 companies. For more detailed information, please visit ECHA C&L website.
neryl isobutyrate is identified by CAS 2345-24-6, molecular formula C14H24O2 and molecular weight 224.18 g/mol. UNII M9941BHL2O; ChEBI 171784; InChIKey OGJYXQFXLSCKTP-LCYFTJDESA-N. Boiling Point: 135.00 °C. @ 13.00 mm Hg; Boiling Point: 232 °C; Density: 0.88-0.90 (d20/4).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: neryl isobutyrate