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 chemical raw material in the food flavors category. 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. 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 | 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存 |
| Category | Flavors |
Documented applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
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: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
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