辛醇（CAS 589-98-0）：分子式 C8H18O、分子量 130.23；类别 食用香精。
| CAS号 | 589-98-0 |
|---|---|
| 分子式 | C8H18O |
| 分子量 | 130.23 |
| 熔点 | -45.00 °C. @ 760.00 mm Hg |
| 沸点 | 173.00 to 175.00 °C. @ 760.00 mm Hg |
| LogP | 2.8 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 3-Octanol: ACTIVE |
| 类别 | 香精香料 |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 3-Octanol: ACTIVE。
辛醇 是一种食用香精化合物，登记 CAS 号为 589-98-0，分子式 C8H18O（分子量 130.23），归属于食用香精大类化工原料。
登记 CAS 号：589-98-0
其分子式 C8H18O 由 8 个碳、18 个氢、1 个氧 组成。
别名/同义词：辛醇 · 3 OCTANOL
所属分类：食用香精
辛醇 的 CAS 登记号为 589-98-0。
分子式 C8H18O，分子量 130.23。
别名/同义词：辛醇、3 OCTANOL。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: 3-Octanol: ACTIVE。
所属分类：香精香料。
辛醇（CAS 589-98-0）的独立参考数据，整理自公开化学数据库。
| 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.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3 OCTANOL