3-Mercapto-2-methylpentan-1-ol (CAS 227456-27-1) — formula C6H14OS, molecular weight 134.08 g/mol.
| CAS Number | 227456-27-1 |
|---|---|
| Molecular Formula | C6H14OS |
| Molecular Weight | 134.08 g/mol |
| Boiling Point | 50.00 °C. @ 0.50 mm Hg |
| LogP | 1.6 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
3-Mercapto-2-methylpentan-1-ol is a chemical compound with CAS registry number 227456-27-1 and molecular formula C6H14OS (molecular weight 134.08 g/mol).
CAS number: 227456-27-1
Its molecular formula C6H14OS comprises 6 C, 14 H, 1 O, 1 S atoms.
Also known as: 3-Mercapto-2-methylpentan-1-ol · 3-Mercapto-2-methylpenta-1-ol
The CAS registry number of 3-Mercapto-2-methylpentan-1-ol is 227456-27-1.
Molecular formula C6H14OS, molecular weight 134.08 g/mol.
It is also registered under: 3-Mercapto-2-methylpentan-1-ol, 3-Mercapto-2-methylpenta-1-ol.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index.
Independent reference data for 3-Mercapto-2-methylpentan-1-ol (CAS 227456-27-1), compiled from public chemistry databases.
| CAS Registry Number | 227456-27-1 |
|---|---|
| PubChem CID | 6430888 |
| Molecular formula | C6H14OS |
| Molecular weight | 134.08 g/mol |
| IUPAC name | 2-methyl-3-sulfanylpentan-1-ol |
| InChIKey | HABNNYNSJFKZFE-UHFFFAOYSA-N |
| UNII (FDA) | 7XRY329G5S |
| ChEBI ID | CHEBI:193636 |
| FEMA number | 3996 |
| JECFA number | 1291 |
| Molecular Weight | 134.24 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 134.07653624 |
| Monoisotopic Mass | 134.07653624 |
| Topological Polar Surface Area | 21.2 |
| Heavy Atom Count | 8 |
| Boiling Point | 50.00 °C. @ 0.50 mm Hg |
|---|---|
| Boiling Point | 50 °C (0.5 mm Hg) |
| Density | 0.985-0.995 |
| Refractive Index | 1.480-1.490 |
227456-27-1; 3-mercapto-2-methylpentan-1-ol; 1-Pentanol, 3-mercapto-2-methyl-; FEMA no. 3996; 7XRY329G5S; 3-Mercapto-2-methylpentan-1-ol (racemic); RefChem:94533; 607-151-7; 3-Mercapto-2-methylpenta-1-ol; 2-methyl-3-sulfanylpentan-1-ol; 3-mercapto-2-methylpentanol; 3-mercapto-2-methyl-1-pentanol; MFCD08741458; 3-Mercapto-2-methylpentan-1-ol, (+/-)-; 3-Mercapto-2-methylpentan-1-ol (racemic) [FHFI]; 2-methyl-3-sulfanyl-pentan-1-ol
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Gravy, Leek, Meat Broth, Onion No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
3-Mercapto-2-methylpentan-1-ol is identified by CAS 227456-27-1, molecular formula C6H14OS and molecular weight 134.08 g/mol. UNII 7XRY329G5S; ChEBI 193636; InChIKey HABNNYNSJFKZFE-UHFFFAOYSA-N. Boiling Point: 50.00 °C. @ 0.50 mm Hg; Boiling Point: 50 °C (0.5 mm Hg); Density: 0.985-0.995.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.