Methylthiomethyl hexanoate (CAS 74758-91-1) — formula C8H16O2S, molecular weight 176.09 g/mol; category food flavors.
Methylthiomethyl hexanoate (CAS 74758-91-1) is a food flavors. Its molecular formula C8H16O2S comprises 8 C, 16 H, 2 O, 1 S atoms. Its molecular weight is about 176.09 g/mol. Reported physicochemical data: boiling point around 223.00 to 224.00 °C. @ 760.00 mm Hg, LogP about 2.8. 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 | 74758-91-1 |
|---|---|
| Molecular Formula | C8H16O2S |
| Molecular Weight | 176.09 g/mol |
| Boiling Point | 223.00 to 224.00 °C. @ 760.00 mm Hg |
| LogP | 2.8 |
| 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.
Methylthiomethyl hexanoate is a flavoring compound with CAS registry number 74758-91-1 and molecular formula C8H16O2S (molecular weight 176.09 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 74758-91-1
Its molecular formula C8H16O2S comprises 8 C, 16 H, 2 O, 1 S atoms.
Also known as: Methylthiomethyl hexanoate · 己酸甲硫基甲酯
Category: food flavors
The CAS registry number of Methylthiomethyl hexanoate is 74758-91-1.
Molecular formula C8H16O2S, molecular weight 176.09 g/mol.
It is also registered under: Methylthiomethyl hexanoate, 己酸甲硫基甲酯.
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 Methylthiomethyl hexanoate (CAS 74758-91-1), compiled from public chemistry databases.
| CAS Registry Number | 74758-91-1 |
|---|---|
| PubChem CID | 173312 |
| Molecular formula | C8H16O2S |
| Molecular weight | 176.09 g/mol |
| IUPAC name | methylsulfanylmethyl hexanoate |
| InChIKey | NWSZEYNCLKNLMJ-UHFFFAOYSA-N |
| UNII (FDA) | 2VJ58GF47Z |
| ChEBI ID | CHEBI:168823 |
| FEMA number | 3880 |
| JECFA number | 479 |
| Molecular Weight | 176.28 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 176.08710092 |
| Monoisotopic Mass | 176.08710092 |
| Topological Polar Surface Area | 51.6 |
| Heavy Atom Count | 11 |
| Boiling Point | 223.00 to 224.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 133-135 °C (20 mm Hg) |
| Density | 0.890-0.895 |
| Refractive Index | 1.469-1.476 |
METHYLTHIOMETHYL HEXANOATE; (Methylthio)methyl hexanoate; (METHYLSULFANYL)METHYL HEXANOATE; Hexanoic acid, (methylthio)methyl ester; UNII-2VJ58GF47Z; 2VJ58GF47Z; EINECS 277-988-7; DTXSID3072795; FEMA NO. 3880; METHYLTHIOMETHYL HEXANOATE [FHFI]; RefChem:158337; DTXCID8047711; 74758-91-1; methylsulfanylmethyl hexanoate; Hexanoic acid,(methylthio)methyl ester; (methyl thio) methyl hexanoate
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (90 / 90) |
| GHS notification summary | 100% (90 / 90) |
|---|
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Reported as not meeting GHS hazard criteria by 90 of 90 companies. For more detailed information, please visit ECHA C&L website.
Methylthiomethyl hexanoate is identified by CAS 74758-91-1, molecular formula C8H16O2S and molecular weight 176.09 g/mol. UNII 2VJ58GF47Z; ChEBI 168823; InChIKey NWSZEYNCLKNLMJ-UHFFFAOYSA-N. Boiling Point: 223.00 to 224.00 °C. @ 760.00 mm Hg; Boiling Point: 133-135 °C (20 mm Hg); Density: 0.890-0.895.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 己酸甲硫基甲酯