2-Methyltetrahydrothiophen-3-one
ALDRICH/W351200 - ≥97%, FG
Synonym: blackberry thiophenone
CAS Number: 13679-85-1
Empirical Formula (Hill Notation): C5H8OS
Molecular Weight: 116.18
EC Number: 237-183-3
MDL Number: MFCD00078280
Linear Formula: C5H8OS
Product Type: Chemical
| application(s) | flavors and fragrances |
| assay | ≥97% |
| biological source | synthetic |
| bp | 82 °C/28 mmHg (lit.) |
| density | 1.119 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| Kosher | |
| InChI | 1S/C5H8OS/c1-4-5(6)2-3-7- |
| InChI key | YMZZPMVKABUEBL-UHFFFAOYSA |
| organoleptic | berry; fruity; sulfurous |
| Quality Level | 300 ![]() |
| refractive index | n |
| reg. compliance | EU Regulation 1334/2008 & 178/2002 |
| FDA 21 CFR 117 | |
| SMILES string | CC1SCCC1=O |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 25, 100 g in glass bottle |
| Symbol | GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37/39 |
| WGK Germany | WGK 3 |
| Flash Point(F) | 159.8 °F |
| Flash Point(C) | 71 °C |
| Purity | ≥97% |
| bp | 82 °C/28 mmHg (lit.) |
| Density | 1.119 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 3512 |
| UNSPSC | 12164502 |


