linalyl caproate (CAS 7779-23-9) — formula C16H28O2, molecular weight 252.39; category organic chemicals.
| CAS Number | 7779-23-9 |
|---|---|
| Molecular Formula | C16H28O2 |
| Molecular Weight | 252.39 |
| Boiling Point | 252.00 °C. @ 760.00 mm Hg |
| LogP | 5.2 |
| 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 |
| Category | Organic Chemicals |
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 caproate is a carbon-based organic compound with CAS registry number 7779-23-9 and molecular formula C16H28O2 (molecular weight 252.39), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7779-23-9
Its molecular formula C16H28O2 comprises 16 C, 28 H, 2 O atoms.
Also known as: linalyl caproate · 己酸-1,5-二甲基-1-乙烯基-4-己烯酯 · Linalyl hexanoate
Category: organic chemicals
The CAS registry number of linalyl caproate is 7779-23-9.
Molecular formula C16H28O2, molecular weight 252.39.
It is also registered under: linalyl caproate, 己酸-1,5-二甲基-1-乙烯基-4-己烯酯, Linalyl hexanoate.
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.
Category: Organic Chemicals.
Independent reference data for linalyl caproate (CAS 7779-23-9), compiled from public chemistry databases.
| CAS Registry Number | 7779-23-9 |
|---|---|
| PubChem CID | 564550 |
| Molecular formula | C16H28O2 |
| Molecular weight | 252.21 g/mol |
| IUPAC name | 3,7-dimethylocta-1,6-dien-3-yl hexanoate |
| InChIKey | ALKCLFLTXBBMMP-UHFFFAOYSA-N |
| UNII (FDA) | 70M593F8B8 |
| ChEBI ID | CHEBI:196060 |
| FEMA number | 2643 |
| JECFA number | 364 |
| Molecular Weight | 252.39 |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Exact Mass | 252.208930132 |
| Monoisotopic Mass | 252.208930132 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 18 |
| Boiling Point | 252.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 252 °C |
| Density | 0.886-0.892 (20 °C) |
| Refractive Index | 1.451-1.460 |
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
| 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) |
| 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.
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. Boiling Point: 252.00 °C. @ 760.00 mm Hg; Boiling Point: 252 °C; Density: 0.886-0.892 (20 °C).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 己酸-1,5-二甲基-1-乙烯基-4-己烯酯