3-Mercapto-2-methylpentanal (CAS 227456-28-2) — formula C6H12OS, molecular weight 132.06 g/mol; category food flavors.
3-Mercapto-2-methylpentanal (CAS 227456-28-2) is a food flavors. Its molecular formula C6H12OS comprises 6 C, 12 H, 1 O, 1 S atoms. Its molecular weight is about 132.06 g/mol. Reported physicochemical data: boiling point around 98.00 to 100.00 °C. @ 10.00 mm Hg, LogP about 1.5. Flavors are used to provide or enhance aroma in food and beverages, and must comply with food flavoring regulations. Widely used in beverages, confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 227456-28-2 |
|---|---|
| Molecular Formula | C6H12OS |
| Molecular Weight | 132.06 g/mol |
| Boiling Point | 98.00 to 100.00 °C. @ 10.00 mm Hg |
| LogP | 1.5 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Flavors |
Documented applications: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
3-Mercapto-2-methylpentanal is a flavoring compound with CAS registry number 227456-28-2 and molecular formula C6H12OS (molecular weight 132.06 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 227456-28-2
Its molecular formula C6H12OS comprises 6 C, 12 H, 1 O, 1 S atoms.
Also known as: 3-Mercapto-2-methylpentanal · 葱油醛
Category: food flavors
The CAS registry number of 3-Mercapto-2-methylpentanal is 227456-28-2.
Molecular formula C6H12OS, molecular weight 132.06 g/mol.
It is also registered under: 3-Mercapto-2-methylpentanal, 葱油醛.
Recorded applications: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
Category: Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 3-Mercapto-2-methylpentanal (CAS 227456-28-2), compiled from public chemistry databases.
| CAS Registry Number | 227456-28-2 |
|---|---|
| PubChem CID | 527435 |
| Molecular formula | C6H12OS |
| Molecular weight | 132.06 g/mol |
| IUPAC name | 2-methyl-3-sulfanylpentanal |
| InChIKey | FSAGSGCELJTQFN-UHFFFAOYSA-N |
| UNII (FDA) | 04LG18GGDN |
| ChEBI ID | CHEBI:173357 |
| FEMA number | 3994 |
| JECFA number | 1292 |
| Molecular Weight | 132.23 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 132.06088618 |
| Monoisotopic Mass | 132.06088618 |
| Topological Polar Surface Area | 18.1 |
| Heavy Atom Count | 8 |
| Boiling Point | 98.00 to 100.00 °C. @ 10.00 mm Hg |
|---|---|
| Boiling Point | 98-100 °C (10 mm Hg) |
| Density | 1.095-1.103 |
| Refractive Index | 1.523-1.529 |
3-Mercapto-2-methylpentanal; 227456-28-2; Pentanal, 3-mercapto-2-methyl-; FEMA no. 3994; UNII-04LG18GGDN; 04LG18GGDN; 3-Mercapto-2-methylpentanal [FHFI]; RefChem:94534; 2-Methyl-3-sulphanylpentanal; FSAGSGCELJTQFN-UHFFFAOYSA-N; 2-methyl-3-sulfanylpentanal; 2-methyl-3-sulanylpentanal; SCHEMBL2865536; DTXSID80945425; CHEBI:173357; AKOS015897569
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Meat Broth, Onion No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 (100%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
3-Mercapto-2-methylpentanal is identified by CAS 227456-28-2, molecular formula C6H12OS and molecular weight 132.06 g/mol. UNII 04LG18GGDN; ChEBI 173357; InChIKey FSAGSGCELJTQFN-UHFFFAOYSA-N. Boiling Point: 98.00 to 100.00 °C. @ 10.00 mm Hg; Boiling Point: 98-100 °C (10 mm Hg); Density: 1.095-1.103.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 葱油醛