2-丙烯酸-1-乙烯基-1,5-二甲基-4-己烯醇3-苯基酯（CAS 78-37-5）：分子式 C19H24O2、分子量 284.4。
| CAS号 | 78-37-5 |
|---|---|
| 分子式 | C19H24O2 |
| 分子量 | 284.4 |
| 沸点 | 353.00 °C. @ 760.00 mm Hg |
| LogP | 5.4 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Propenoic acid、3-phenyl-、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: 2-Propenoic acid、3-phenyl-、1-ethenyl-1、5-dimethyl-4-hexen-1-yl ester: ACTIVE。
2-丙烯酸-1-乙烯基-1,5-二甲基-4-己烯醇3-苯基酯 是一种化工化合物，登记 CAS 号为 78-37-5，分子式 C19H24O2（分子量 284.4）。
登记 CAS 号：78-37-5
其分子式 C19H24O2 由 19 个碳、24 个氢、2 个氧 组成。
别名/同义词：2-丙烯酸-1-乙烯基-1,5-二甲基-4-己烯醇3-苯基酯 · linalyl cinnamate
2-丙烯酸-1-乙烯基-1,5-二甲基-4-己烯醇3-苯基酯 的 CAS 登记号为 78-37-5。
分子式 C19H24O2，分子量 284.4。
别名/同义词：2-丙烯酸-1-乙烯基-1,5-二甲基-4-己烯醇3-苯基酯、linalyl cinnamate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 2-Propenoic acid、3-phenyl-、1-ethenyl-1、5-dimethyl-4-hexen-1-yl ester: ACTIVE。
2-丙烯酸-1-乙烯基-1,5-二甲基-4-己烯醇3-苯基酯（CAS 78-37-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 78-37-5 |
|---|---|
| PubChem CID | 5355858 |
| Molecular formula | C19H24O2 |
| Molecular weight | 284.18 g/mol |
| IUPAC name | 3,7-dimethylocta-1,6-dien-3-yl (E)-3-phenylprop-2-enoate |
| InChIKey | DPFUEXLIKDHJNB-BUHFOSPRSA-N |
| UNII (FDA) | 5E73T3S69W |
| ChEBI ID | CHEBI:186906 |
| FEMA number | 2641 |
| JECFA number | 668 |
| Molecular Weight | 284.4 |
|---|---|
| XLogP3 | 5.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 284.177630004 |
| Monoisotopic Mass | 284.177630004 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 21 |
| Boiling Point | 353.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 353 °C |
| Solubility | 4 mg/L @ 20 °C (exp) |
| Density | 0.985-0.995 |
| Refractive Index | 1.540-1.545 |
Linalyl cinnamate; 78-37-5; Linalyl 3-phenylpropenoate; FEMA No. 2641; 3,7-Dimethyl-1,6-octadien-3-yl cinnamate; Cinnamic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester; 3,7-Dimethyl-1,6-octadien-3-yl 3-phenylpropenoate; 3,7-Dimethyl-1,6-octadien-3-yl beta-phenylacrylate; 3,7-Dimethyl-1,6-octadien-3-yl cinnamtae; 2-Propenoic acid, 3-phenyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester; 5E73T3S69W; 2-Propenoic acid, 3-phenyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester; NSC-46163; DTXCID2027410; DTXSID4047410; 3,7-dimethylocta-1,6-dien-3-yl (2E)-3-phenylprop-2-enoate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Flower No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 17.2% (267 / 1553) |
| GHS notification summary | 17.2% (267 / 1553) |
|---|---|
| Reported hazard statements | H319 (82.8%) |
This chemical does not meet GHS hazard criteria for 17.2% (267 of 1553) of reports.
H319 (82.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
linalyl cinnamate is identified by CAS 78-37-5, molecular formula C19H24O2 and molecular weight 284.18 g/mol. UNII 5E73T3S69W; ChEBI 186906; InChIKey DPFUEXLIKDHJNB-BUHFOSPRSA-N. Boiling Point: 353.00 °C. @ 760.00 mm Hg; Boiling Point: 353 °C; Solubility: 4 mg/L @ 20 °C (exp).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: linalyl cinnamate