Prenylthiol (CAS 5287-45-6) — formula C5H10S, molecular weight 102.20; category organic chemicals.
| CAS Number | 5287-45-6 |
|---|---|
| Molecular Formula | C5H10S |
| Molecular Weight | 102.20 |
| Boiling Point | 128.00 to 135.00 °C. @ 760.00 mm Hg |
| LogP | 2 |
| Category | Organic Chemicals |
Prenylthiol is a carbon-based organic compound with CAS registry number 5287-45-6 and molecular formula C5H10S (molecular weight 102.20), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5287-45-6
Its molecular formula C5H10S comprises 5 C, 10 H, 1 S atoms.
Also known as: Prenylthiol · 异戊烯基硫醇 · 3-Methyl-2-buten-1-thiol · Prenyl mercaptan
Category: organic chemicals
The CAS registry number of Prenylthiol is 5287-45-6.
Molecular formula C5H10S, molecular weight 102.20.
It is also registered under: Prenylthiol, 异戊烯基硫醇, 3-Methyl-2-buten-1-thiol, Prenyl mercaptan.
Category: Organic Chemicals.
Independent reference data for Prenylthiol (CAS 5287-45-6), compiled from public chemistry databases.
| CAS Registry Number | 5287-45-6 |
|---|---|
| PubChem CID | 146586 |
| Molecular formula | C5H10S |
| Molecular weight | 102.05 g/mol |
| IUPAC name | 3-methylbut-2-ene-1-thiol |
| InChIKey | GYDPOKGOQFTYGW-UHFFFAOYSA-N |
| UNII (FDA) | FDG262156U |
| ChEBI ID | CHEBI:169260 |
| FEMA number | 3896 |
| JECFA number | 522 |
| Molecular Weight | 102.20 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 102.05032149 |
| Monoisotopic Mass | 102.05032149 |
| Topological Polar Surface Area | 1 |
| Heavy Atom Count | 6 |
| Boiling Point | 128.00 to 135.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 128-135 °C |
| Density | 0.884-0.885 |
| Refractive Index | 1.483-1.493 |
5287-45-6; 3-methylbut-2-ene-1-thiol; Prenylthiol; 3-Methyl-2-butene-1-thiol; Prenyl mercaptan; FDG262156U; FEMA NO. 3896; DTXSID00200907; RefChem:868485; DTXCID90123398; 610-907-9; 3-methyl-2-buten-1-thiol; 1-Mercapto-3-methyl-2-butene; 2-Butene-1-thiol, 3-methyl-; 3-Methyl-1-mercapto-2-butene; 3-methyl-2-butenethiol
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Almond, Coffee, Foxy, Spice No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H226 (100%), H302 (26.2%), H315 (75%), H319 (75%), H335 (75%) |
|---|
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
H302 (26.2%): Harmful if swallowed [Warning Acute toxicity, oral]
Prenyl mercaptan is identified by CAS 5287-45-6, molecular formula C5H10S and molecular weight 102.05 g/mol. UNII FDG262156U; ChEBI 169260; InChIKey GYDPOKGOQFTYGW-UHFFFAOYSA-N. Boiling Point: 128.00 to 135.00 °C. @ 760.00 mm Hg; Boiling Point: 128-135 °C; Density: 0.884-0.885.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异戊烯基硫醇