3 OCTANOL (CAS 589-98-0) — formula C8H18O, molecular weight 130.14 g/mol; category food flavors.
| CAS Number | 589-98-0 |
|---|---|
| Molecular Formula | C8H18O |
| Molecular Weight | 130.14 g/mol |
| Melting Point | -45.00 °C. @ 760.00 mm Hg |
| Boiling Point | 173.00 to 175.00 °C. @ 760.00 mm Hg |
| LogP | 2.8 |
| Applications | Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 3-Octanol: ACTIVE |
| Category | Flavors & Fragrances |
Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 3-Octanol: ACTIVE.
3 OCTANOL is a flavoring compound with CAS registry number 589-98-0 and molecular formula C8H18O (molecular weight 130.14 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 589-98-0
Its molecular formula C8H18O comprises 8 C, 18 H, 1 O atoms.
Also known as: 3 OCTANOL · 辛醇
Category: food flavors
The CAS registry number of 3 OCTANOL is 589-98-0.
Molecular formula C8H18O, molecular weight 130.14 g/mol.
It is also registered under: 3 OCTANOL, 辛醇.
Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, General Manufacturing Information: 3-Octanol: ACTIVE.
Category: Flavors & Fragrances.
Independent reference data for 3 OCTANOL (CAS 589-98-0), compiled from public chemistry databases.
| CAS Registry Number | 589-98-0 |
|---|---|
| PubChem CID | 11527 |
| Molecular formula | C8H18O |
| Molecular weight | 130.14 g/mol |
| IUPAC name | octan-3-ol |
| InChIKey | NMRPBPVERJPACX-UHFFFAOYSA-N |
| UNII (FDA) | 73DZ0U3U1E |
| ChEBI ID | CHEBI:80945 |
| FEMA number | 3581 |
| JECFA number | 291 |
| Molecular Weight | 130.23 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 130.135765193 |
| Monoisotopic Mass | 130.135765193 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 9 |
| Boiling Point | 173.00 to 175.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 174 °C |
| Melting Point | -45.00 °C. @ 760.00 mm Hg |
| Density | 0.817-0.824 |
| Refractive Index | 1.425-1.429 |
3-OCTANOL; Octan-3-ol; 589-98-0; 1-Ethylhexanol; Ethylamylcarbinol; Amyl ethyl carbinol; Amylethylcarbinol; Ethyl-n-amylcarbinol; Octanol-3; Ethyl amyl carbinol; D-n-Octanol; 20296-29-1; dl-3-Octanol; n-Octan-3-ol; 3-Octanol (natural); Ethylhexyl alcohol
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Citrus, Moss, Mushroom, Nut, Oil No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 5.9% (98 / 1653) |
| GHS notification summary | 5.9% (98 / 1653) |
|---|---|
| Reported hazard statements | H315 (93.7%), H319 (91.7%) |
This chemical does not meet GHS hazard criteria for 5.9% (98 of 1653) of reports.
H315 (93.7%): Causes skin irritation [Warning Skin corrosion/irritation]
3 OCTANOL is identified by CAS 589-98-0, molecular formula C8H18O and molecular weight 130.14 g/mol. UNII 73DZ0U3U1E; ChEBI 80945; InChIKey NMRPBPVERJPACX-UHFFFAOYSA-N. Boiling Point: 173.00 to 175.00 °C. @ 760.00 mm Hg; Boiling Point: 174 °C; Melting Point: -45.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 辛醇