2-Phenylethyl mercaptan (CAS 4410-99-5) — formula C8H10S, molecular weight 138.05 g/mol; category food flavors.
2-Phenylethyl mercaptan (CAS 4410-99-5) is a chemical raw material in the food flavors category. Its molecular formula C8H10S comprises 8 C, 10 H, 1 S atoms. Its molecular weight is about 138.05 g/mol. Reported physicochemical data: boiling point around 217.00 to 218.00 °C. @ 760.00 mm Hg, 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 | 4410-99-5 |
|---|---|
| Molecular Formula | C8H10S |
| Molecular Weight | 138.05 g/mol |
| Boiling Point | 217.00 to 218.00 °C. @ 760.00 mm Hg |
| LogP | 2.6 |
| Applications | Flavoring Agents, Flavouring Agent |
| Category | Flavors |
Documented applications: Flavoring Agents, Flavouring Agent.
2-Phenylethyl mercaptan is a flavoring compound with CAS registry number 4410-99-5 and molecular formula C8H10S (molecular weight 138.05 g/mol), belonging to the food flavors segment of chemical raw materials.
CAS number: 4410-99-5
Its molecular formula C8H10S comprises 8 C, 10 H, 1 S atoms.
Also known as: 2-Phenylethyl mercaptan · 2-Phenyl ethanethiol;β-Phenyl ethyl mercaphtan
Category: food flavors
The CAS registry number of 2-Phenylethyl mercaptan is 4410-99-5.
Molecular formula C8H10S, molecular weight 138.05 g/mol.
It is also registered under: 2-Phenylethyl mercaptan, 2-Phenyl ethanethiol;β-Phenyl ethyl mercaphtan.
Recorded applications: Flavoring Agents, Flavouring Agent.
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 2-Phenylethyl mercaptan (CAS 4410-99-5), compiled from public chemistry databases.
| CAS Registry Number | 4410-99-5 |
|---|---|
| PubChem CID | 78126 |
| Molecular formula | C8H10S |
| Molecular weight | 138.05 g/mol |
| IUPAC name | 2-phenylethanethiol |
| InChIKey | ZMRFRBHYXOQLDK-UHFFFAOYSA-N |
| UNII (FDA) | I4TH2T2INY |
| FEMA number | 3894 |
| JECFA number | 527 |
| Molecular Weight | 138.23 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 138.05032149 |
| Monoisotopic Mass | 138.05032149 |
| Topological Polar Surface Area | 1 |
| Heavy Atom Count | 9 |
| Boiling Point | 217.00 to 218.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 62 °C |
| Density | 1.027-1.037 |
| Refractive Index | 1.560-1.615 |
2-Phenylethanethiol; 4410-99-5; Phenethyl mercaptan; Benzeneethanethiol; Phenylethyl mercaptan; 2-phenyl-1-ethanethiol; Phenylethylthiol; UNII-I4TH2T2INY; I4TH2T2INY; 2-phenethylmercaptan; PHENETHYLTHIOL; b-Phenylethylmercaptan; Benzeneethanethiol, 9CI; NSC-2616; EINECS 224-563-9; 1-Mercapto-2-phenylethane
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Rubber No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 9.4% (11 / 117) |
| GHS notification summary | 9.4% (11 / 117) |
|---|---|
| Reported hazard statements | H302 (88.9%), H319 (69.2%) |
This chemical does not meet GHS hazard criteria for 9.4% (11 of 117) of reports.
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
2-Phenylethyl mercaptan is identified by CAS 4410-99-5, molecular formula C8H10S and molecular weight 138.05 g/mol. UNII I4TH2T2INY; InChIKey ZMRFRBHYXOQLDK-UHFFFAOYSA-N. Boiling Point: 217.00 to 218.00 °C. @ 760.00 mm Hg; Boiling Point: 62 °C; Density: 1.027-1.037.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
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