Thioanisole (CAS 100-68-5) — formula C7H8S, molecular weight 124.21; category organic chemicals.
Thioanisole (CAS 100-68-5) is a chemical raw material in the organic chemicals category. Its molecular formula C7H8S comprises 7 C, 8 H, 1 S atoms. Its molecular weight is about 124.21. Reported physicochemical data: melting point around -15 °C, boiling point around 188.00 to 193.00 °C. @ 760.00 mm Hg, LogP about 2.74. 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 | 100-68-5 |
|---|---|
| Molecular Formula | C7H8S |
| Molecular Weight | 124.21 |
| Melting Point | -15 °C |
| Boiling Point | 188.00 to 193.00 °C. @ 760.00 mm Hg |
| LogP | 2.74 |
| Applications | flavoring agent or adjuvant, Flavoring Agents, Flavouring Agent, Benzene, (methylthio)-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: flavoring agent or adjuvant, Flavoring Agents, Flavouring Agent, Benzene, (methylthio)-: ACTIVE.
Thioanisole is a carbon-based organic compound with CAS registry number 100-68-5 and molecular formula C7H8S (molecular weight 124.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 100-68-5
Its molecular formula C7H8S comprises 7 C, 8 H, 1 S atoms.
Also known as: Thioanisole · 苯硫醚
Category: organic chemicals
The CAS registry number of Thioanisole is 100-68-5.
Molecular formula C7H8S, molecular weight 124.21.
It is also registered under: Thioanisole, 苯硫醚.
Recorded applications: flavoring agent or adjuvant, Flavoring Agents, Flavouring Agent, Benzene, (methylthio)-: ACTIVE.
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 Thioanisole (CAS 100-68-5), compiled from public chemistry databases.
| CAS Registry Number | 100-68-5 |
|---|---|
| PubChem CID | 7520 |
| Molecular formula | C7H8S |
| IUPAC name | methylsulfanylbenzene |
| UNII (FDA) | BB4K737YF4 |
| FEMA number | 3873 |
| JECFA number | 459 |
| Molecular Weight | 124.21 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 124.03467143 |
| Monoisotopic Mass | 124.03467143 |
| Topological Polar Surface Area | 25.3 |
| Heavy Atom Count | 8 |
| Boiling Point | 188.00 to 193.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 188-193 °C |
| Melting Point | -15 °C |
| Solubility | 0.506 mg/mL at 25 °C |
| Density | 0.958-0.968 |
| LogP | 2.74 |
| LogP | 2.6 |
| Refractive Index | 1.532-1.551 |
Thioanisole; 100-68-5; Methyl phenyl sulfide; Thioanisol; (Methylthio)benzene; Benzene, (methylthio)-; (Methylsulfanyl)benzene; METHYLPHENYLSULFIDE; Phenylthiomethane; Phenyl methyl sulfide; (1-Thiaethyl)benzene; Methyl phenyl sulphide; Methylthiobenzene; Methyl phenylsulfide; BB4K737YF4; Sulfide, methyl phenyl (6CI,8CI)
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (98.8%), H315 (89.5%), H317 (66.1%), H319 (89.5%), H335 (22.8%), H411 (66.1%), H226 |
|---|
H302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (89.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Thioanisole · CAS 100-68-5 · C7H8S. UNII BB4K737YF4. Boiling Point: 188.00 to 193.00 °C. @ 760.00 mm Hg; Boiling Point: 188-193 °C; Melting Point: -15 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苯硫醚