1-Hexen-3-ol (CAS 4798-44-1) — formula C6H12O, molecular weight 100.09 g/mol; category organic chemicals.
| CAS Number | 4798-44-1 |
|---|---|
| Molecular Formula | C6H12O |
| Molecular Weight | 100.09 g/mol |
| Boiling Point | 133.5-134 °C |
| LogP | 1.5 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 1-Hexen-3-ol: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 1-Hexen-3-ol: ACTIVE.
1-Hexen-3-ol is a carbon-based organic compound with CAS registry number 4798-44-1 and molecular formula C6H12O (molecular weight 100.09 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 4798-44-1
Its molecular formula C6H12O comprises 6 C, 12 H, 1 O atoms.
Also known as: 1-Hexen-3-ol · 3-己醇
Category: organic chemicals
The CAS registry number of 1-Hexen-3-ol is 4798-44-1.
Molecular formula C6H12O, molecular weight 100.09 g/mol.
It is also registered under: 1-Hexen-3-ol, 3-己醇.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: 1-Hexen-3-ol: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 1-Hexen-3-ol (CAS 4798-44-1), compiled from public chemistry databases.
| CAS 号 | 4798-44-1 |
|---|---|
| PubChem CID | 20928 |
| 分子式 | C6H12O |
| 分子量 | 100.09 g/mol |
| IUPAC 名称 | hex-1-en-3-ol |
| InChIKey | BVOSSZSHBZQJOI-UHFFFAOYSA-N |
| UNII（FDA） | Q5O8U05965 |
| ChEBI 编号 | CHEBI:173346 |
| FEMA 编号 | 3608 |
| JECFA 编号 | 1151 |
| Molecular Weight | 100.16 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 100.088815002 |
| Monoisotopic Mass | 100.088815002 |
| Topological Polar Surface Area | 20.2 |
| Heavy Atom Count | 7 |
| Boiling Point | 133.5-134 °C |
|---|---|
| Solubility | 25.2 mg/mL at 25 °C |
| Density | 0.830-0.836 |
| Refractive Index | 1.425-1.431 |
1-HEXEN-3-OL; Hex-1-en-3-ol; Propylvinylcarbinol; 3-Hydroxy-1-hexene; 1-Vinylbutanol; Propyl vinyl carbinol; 1-Vinylbutan-1-ol; 1-Hexene-3-ol; FEMA No. 3608; EINECS 225-355-0; NSC 89701; UNII-Q5O8U05965; AI3-28612; NSC-89701; Q5O8U05965; 1-PROPYLALLYL ALCOHOL
| 法规与食品接触 | 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 |
|---|
| 已通报的危害声明 | H226 (100%), H302 (87%) |
|---|
3-己醇 的 CAS 号为 4798-44-1，分子式 C6H12O，分子量 100.09 g/mol。 UNII Q5O8U05965; ChEBI 173346; InChIKey BVOSSZSHBZQJOI-UHFFFAOYSA-N. Boiling Point: 133.5-134 °C; Solubility: 25.2 mg/mL at 25 °C; Density: 0.830-0.836.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-己醇