3,4,5-TRITHIAOCTANE (CAS 31499-70-4) — formula C5H12S3, molecular weight 168.4; category organic chemicals.
3,4,5-TRITHIAOCTANE (CAS 31499-70-4) is a chemical raw material in the organic chemicals category. Its molecular formula C5H12S3 comprises 5 C, 12 H, 3 S atoms. Its molecular weight is about 168.4. Reported physicochemical data: boiling point around 234-237 °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 | 31499-70-4 |
|---|---|
| Molecular Formula | C5H12S3 |
| Molecular Weight | 168.4 |
| Boiling Point | 234-237 °C |
| LogP | 2.6 |
| Applications | Flavoring Agents, Flavouring Agent |
| Category | Organic Chemicals |
Documented applications: Flavoring Agents, Flavouring Agent.
3,4,5-TRITHIAOCTANE is a carbon-based organic compound with CAS registry number 31499-70-4 and molecular formula C5H12S3 (molecular weight 168.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 31499-70-4
Its molecular formula C5H12S3 comprises 5 C, 12 H, 3 S atoms.
Also known as: 3,4,5-TRITHIAOCTANE · 乙基丙基三硫醚
Category: organic chemicals
The CAS registry number of 3,4,5-TRITHIAOCTANE is 31499-70-4.
Molecular formula C5H12S3, molecular weight 168.4.
It is also registered under: 3,4,5-TRITHIAOCTANE, 乙基丙基三硫醚.
Recorded applications: Flavoring Agents, Flavouring Agent.
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 3,4,5-TRITHIAOCTANE (CAS 31499-70-4), compiled from public chemistry databases.
| CAS Number | 31499-70-4 |
|---|---|
| PubChem CID | 53425122 |
| Molecular Formula | C5H12S3 |
| IUPAC Name | 1-(ethyltrisulfanyl)propane |
| UNII (FDA) | 4SOS6O9G2X |
| Molecular Weight | 168.4 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 168.01011390 |
| Monoisotopic Mass | 168.01011390 |
| Topological Polar Surface Area | 75.9 |
| Heavy Atom Count | 8 |
| Boiling Point | 234-237 °C |
|---|---|
| Density | 1.071-1.083 (20 °C) |
| Refractive Index | 1.544-1.559 |
1-(Ethyltrisulfanyl)propane; 31499-70-4; Trisulfide, ethyl propyl; UNII-4SOS6O9G2X; FEMA No. 4042, ethyl propyl-; 4SOS6O9G2X; DTXSID10185397; RefChem:74687; DTXCID20107888; Ethyl propyl trisulfide; 1-ETHYL-3-PROPYLTRISULFANE; SCHEMBL15686216; SHEIYCJSZOMHMI-UHFFFAOYSA-N; AKOS006288250; NS00125299; Q27260439
| Regulatory & food contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Roasted, Rubber No safety concern at current levels of intake when used as a flavouring agent |
|---|
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 乙基丙基三硫醚