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 | 400 |
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 |