Linalyl hexanoate (CAS 7779-23-9) — formula C16H28O2, molecular weight 252.21 g/mol.
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Hexanoic acid, 1-ethenyl-1, 5-dimethyl-4-hexen-1-yl ester: ACTIVE.
Linalyl hexanoate is a chemical compound with CAS registry number 7779-23-9 and molecular formula C16H28O2 (molecular weight 252.21 g/mol).
CAS number: 7779-23-9
Its molecular formula C16H28O2 comprises 16 C, 28 H, 2 O atoms.
Also known as: Linalyl hexanoate · linalyl caproate
The CAS registry number of Linalyl hexanoate is 7779-23-9.
Molecular formula C16H28O2, molecular weight 252.21 g/mol.
It is also registered under: Linalyl hexanoate, linalyl caproate.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: Hexanoic acid, 1-ethenyl-1, 5-dimethyl-4-hexen-1-yl ester: ACTIVE.
Public-database records for Linalyl hexanoate (CAS 7779-23-9), reproduced here for independent cross-checking.
| GHS notification summary | 100% (235 / 235) |
|---|
This chemical does not meet GHS hazard criteria for 100% (235 of 235) of all reports.
Reported as not meeting GHS hazard criteria by 235 of 235 companies. For more detailed information, please visit ECHA C&L website.
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (235 / 235) |
| 沸点 | 252.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 252 °C |
| 密度 | 0.886-0.892 (20 °C) |
| 折射率 | 1.451-1.460 |
| CAS Registry Number | 7779-23-9 |
|---|---|
| PubChem CID | 564550 |
| 分子式 | C16H28O2 |
| 分子量 | 252.21 g/mol |
| IUPAC 名称 | 3,7-dimethylocta-1,6-dien-3-yl hexanoate |
| InChIKey | ALKCLFLTXBBMMP-UHFFFAOYSA-N |
| UNII（FDA） | 70M593F8B8 |
| ChEBI 编号 | CHEBI:196060 |
| FEMA 编号 | 2643 |
| JECFA 编号 | 364 |
Linalyl hexanoate; Linalyl caproate; Linalyl hexoate; 7779-23-9; Linalyl capronate; 3,7-dimethylocta-1,6-dien-3-yl hexanoate; Hexanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester; FEMA No. 2643; 3,7-Dimethyl-1,6-octadien-3-yl hexanoate; Hexanoic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester; 70M593F8B8; Hexanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester; DTXSID3052519; RefChem:153482; DTXCID1031092; 231-922-3
| 分子量 | 252.39 |
|---|---|
| XLogP3 | 5.2 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 10 |
| 精确质量 | 252.208930132 |
| 单同位素质量 | 252.208930132 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 18 |
| 形式电荷 | 0 |
Linalyl hexanoate is identified by CAS 7779-23-9, molecular formula C16H28O2 and molecular weight 252.21 g/mol. UNII 70M593F8B8; ChEBI 196060; InChIKey ALKCLFLTXBBMMP-UHFFFAOYSA-N. 沸点: 252.00 °C. @ 760.00 mm Hg; 沸点: 252 °C; 密度: 0.886-0.892 (20 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
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