(S1)-METHOXY-3-HEPTANETHIOL (CAS 400052-49-5) — formula C8H18OS, molecular weight 162.30; category organic chemicals.
(S1)-METHOXY-3-HEPTANETHIOL (CAS 400052-49-5) is a chemical raw material in the organic chemicals category. Its molecular formula C8H18OS comprises 8 C, 18 H, 1 O, 1 S atoms. Its molecular weight is about 162.30. Reported physicochemical data: boiling point around 181-183 °C, LogP about 2.6. 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 | 400052-49-5 |
|---|---|
| Molecular Formula | C8H18OS |
| Molecular Weight | 162.30 |
| Boiling Point | 181-183 °C |
| LogP | 2.6 |
| Applications | Fragrance Ingredients, Flavouring Agent, Flavoring Agents |
| Category | Organic Chemicals |
Documented applications: Fragrance Ingredients, Flavouring Agent, Flavoring Agents.
(S1)-METHOXY-3-HEPTANETHIOL is a carbon-based organic compound with CAS registry number 400052-49-5 and molecular formula C8H18OS (molecular weight 162.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 400052-49-5
Its molecular formula C8H18OS comprises 8 C, 18 H, 1 O, 1 S atoms.
Also known as: (S1)-METHOXY-3-HEPTANETHIOL · (S1)-甲氧基-3-庚硫醇
Category: organic chemicals
The CAS registry number of (S1)-METHOXY-3-HEPTANETHIOL is 400052-49-5.
Molecular formula C8H18OS, molecular weight 162.30.
It is also registered under: (S1)-METHOXY-3-HEPTANETHIOL, (S1)-甲氧基-3-庚硫醇.
Recorded applications: Fragrance Ingredients, Flavouring Agent, Flavoring Agents.
Category: Organic Chemicals.
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 (S1)-METHOXY-3-HEPTANETHIOL (CAS 400052-49-5), compiled from public chemistry databases.
| CAS Number | 400052-49-5 |
|---|---|
| PubChem CID | 12009861 |
| Molecular Formula | C8H18OS |
| IUPAC Name | (3S)-1-methoxyheptane-3-thiol |
| UNII (FDA) | 7QSJ4T5U48 |
| Molecular Weight | 162.30 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 162.10783637 |
| Monoisotopic Mass | 162.10783637 |
| Topological Polar Surface Area | 10.2 |
| Heavy Atom Count | 10 |
| Boiling Point | 181-183 °C |
|---|---|
| Density | 0.901-0.905 |
| Refractive Index | 1.442-1.449 |
(S)-1-methoxy-3-heptanethiol; 1-Methoxy-3-heptanethiol, (3S)-; FEMA No. 4162; 7QSJ4T5U48; 3-Heptanethiol, 1-methoxy-, (3S)-; (3S)-1-methoxyheptane-3-thiol; (S1)-1-methoxy-3-heptanethiol [FHFI]; 400052-49-5; (3S)-1-methoxy-3-heptanethiol; DTXSID30193075; RefChem:433514; DTXCID40115566; (S1)-1-METHOXY-3-HEPTANETHIOL; 639-097-5; UNII-7QSJ4T5U48; (S1)-METHOXY-3-HEPTANETHIOL
| 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 notifications | 100% (89 / 89) |
| GHS notifications | 100% (89 / 89) |
|---|
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: (S1)-甲氧基-3-庚硫醇