linalyl formate (CAS 115-99-1) — formula C11H18O2, molecular weight 182.13 g/mol; category organic chemicals.
| CAS Number | 115-99-1 |
|---|---|
| Molecular Formula | C11H18O2 |
| Molecular Weight | 182.13 g/mol |
| Boiling Point | 100.00 to 103.00 °C. @ 10.00 mm Hg |
| LogP | 3.3 |
| Applications | Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 1, 6-Octadien-3-ol, 3, 7-dimethyl-, 3-formate: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 1, 6-Octadien-3-ol, 3, 7-dimethyl-, 3-formate: ACTIVE.
linalyl formate is a carbon-based organic compound with CAS registry number 115-99-1 and molecular formula C11H18O2 (molecular weight 182.13 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 115-99-1
Its molecular formula C11H18O2 comprises 11 C, 18 H, 2 O atoms.
Also known as: linalyl formate · 甲酸芳樟酯
Category: organic chemicals
The CAS registry number of linalyl formate is 115-99-1.
Molecular formula C11H18O2, molecular weight 182.13 g/mol.
It is also registered under: linalyl formate, 甲酸芳樟酯.
Recorded applications: Use Classification: Fragrance Ingredients, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 1, 6-Octadien-3-ol, 3, 7-dimethyl-, 3-formate: ACTIVE.
Category: Organic Chemicals.
Independent reference data for linalyl formate (CAS 115-99-1), compiled from public chemistry databases.
| CAS Registry Number | 115-99-1 |
|---|---|
| PubChem CID | 61040 |
| Molecular formula | C11H18O2 |
| Molecular weight | 182.13 g/mol |
| IUPAC name | 3,7-dimethylocta-1,6-dien-3-yl formate |
| InChIKey | JZOCDHMHLGUPFI-UHFFFAOYSA-N |
| UNII (FDA) | 3V67WH3R5N |
| ChEBI ID | CHEBI:195882 |
| FEMA number | 2642 |
| JECFA number | 358 |
| Molecular Weight | 182.26 |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 182.130679813 |
| Monoisotopic Mass | 182.130679813 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Boiling Point | 100.00 to 103.00 °C. @ 10.00 mm Hg |
|---|---|
| Boiling Point | 202 °C |
| Density | 0.910-0.918 |
| Refractive Index | 1.453-1.458 |
Linalyl formate; 115-99-1; Linalool formate; 1,6-OCTADIEN-3-OL, 3,7-DIMETHYL-, FORMATE; 3,7-Dimethyl-1,6-octadien-3-yl formate; FEMA No. 2642; 3,7-Dimethyl-1,6-octadien-3-ol formate; DTXSID2047642; 3V67WH3R5N; NSC-46116; DTXCID0027642; RefChem:153481; 204-120-6; 3,7-dimethylocta-1,6-dien-3-yl formate; LINOLOOL, FORMATE; 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-formate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Citrus, Coriander No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 19.1% (311 / 1628) |
| GHS notification summary | 19.1% (311 / 1628) |
|---|---|
| Reported hazard statements | H412 (80.9%) |
This chemical does not meet GHS hazard criteria for 19.1% (311 of 1628) of reports.
H412 (80.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
linalyl formate is identified by CAS 115-99-1, molecular formula C11H18O2 and molecular weight 182.13 g/mol. UNII 3V67WH3R5N; ChEBI 195882; InChIKey JZOCDHMHLGUPFI-UHFFFAOYSA-N. Boiling Point: 100.00 to 103.00 °C. @ 10.00 mm Hg; Boiling Point: 202 °C; Density: 0.910-0.918.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 甲酸芳樟酯