Linalyl butyrate (CAS 78-36-4) — formula C14H24O2, molecular weight 224.18 g/mol; category organic chemicals.
| CAS Number | 78-36-4 |
|---|---|
| Molecular Formula | C14H24O2 |
| Molecular Weight | 224.18 g/mol |
| Boiling Point | 220.00 to 222.00 °C. @ 760.00 mm Hg |
| LogP | 4.1 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 1-ethenyl-1, 5-dimethyl-4-hexen-1-yl ester: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 1-ethenyl-1, 5-dimethyl-4-hexen-1-yl ester: ACTIVE.
Linalyl butyrate is a carbon-based organic compound with CAS registry number 78-36-4 and molecular formula C14H24O2 (molecular weight 224.18 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 78-36-4
Its molecular formula C14H24O2 comprises 14 C, 24 H, 2 O atoms.
Also known as: Linalyl butyrate · 丁酸芳樟酯
Category: organic chemicals
The CAS registry number of Linalyl butyrate is 78-36-4.
Molecular formula C14H24O2, molecular weight 224.18 g/mol.
It is also registered under: Linalyl butyrate, 丁酸芳樟酯.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Butanoic acid, 1-ethenyl-1, 5-dimethyl-4-hexen-1-yl ester: ACTIVE.
Category: Organic Chemicals.
Independent reference data for Linalyl butyrate (CAS 78-36-4), compiled from public chemistry databases.
| CAS 号 | 78-36-4 |
|---|---|
| PubChem CID | 62321 |
| 分子式 | C14H24O2 |
| 分子量 | 224.18 g/mol |
| IUPAC 名称 | 3,7-dimethylocta-1,6-dien-3-yl butanoate |
| InChIKey | FHLGUOHLUFIAAA-UHFFFAOYSA-N |
| UNII（FDA） | 7K9F6ZOH3S |
| ChEBI 编号 | CHEBI:171782 |
| FEMA 编号 | 2639 |
| JECFA 编号 | 361 |
| Molecular Weight | 224.34 |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 8 |
| Exact Mass | 224.177630004 |
| Monoisotopic Mass | 224.177630004 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 16 |
| Boiling Point | 220.00 to 222.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 232 °C |
| Density | 0.855-0.905 |
| Refractive Index | 1.451-1.456 |
Linalyl butyrate; 78-36-4; Linalyl butanoate; 3,7-dimethylocta-1,6-dien-3-yl butanoate; BUTANOIC ACID, 1-ETHENYL-1,5-DIMETHYL-4-HEXENYL ESTER; FEMA No. 2639; 3,7-Dimethyl-1,6-octadien-3-yl butyrate; Butyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester; 1,6-Octadien-3-ol, 3,7-dimethyl-, butyrate; 7K9F6ZOH3S; DTXSID20861635; Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester; NSC-46144; RefChem:153479; DTXCID70810532; 201-109-8
| 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 Pear No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 86.9% (273 / 314) |
| GHS 通报统计 | 86.9% (273 / 314) |
|---|---|
| 已通报的危害声明 | H411 (12.7%) |
丁酸芳樟酯 的 CAS 号为 78-36-4，分子式 C14H24O2，分子量 224.18 g/mol。 UNII 7K9F6ZOH3S; ChEBI 171782; InChIKey FHLGUOHLUFIAAA-UHFFFAOYSA-N. Boiling Point: 220.00 to 222.00 °C. @ 760.00 mm Hg; Boiling Point: 232 °C; Density: 0.855-0.905.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 丁酸芳樟酯