3-Methyl-1-butanethiol
ALDRICH/W385808 - ≥97%
Synonym: Isoamyl mercaptan
CAS Number: 541-31-1
Empirical Formula (Hill Notation): C5H12S
Molecular Weight: 104.21
EC Number: 208-774-3
MDL Number: MFCD00004899
Linear Formula: (CH3)2CHCH2CH2SH
Product Type: Chemical
application(s) | flavors and fragrances |
assay | ≥97% |
biological source | synthetic |
bp | 117-118 °C (lit.) |
density | 0.835 g/mL at 25 °C (lit.) |
documentation | see Safety & Documentation for available documents |
food allergen | no known allergens |
InChI | 1S/C5H12S/c1-5(2)3-4-6/h5 |
InChI key | GIJGXNFNUUFEGH-UHFFFAOYSA |
organoleptic | sulfurous |
Quality Level | 400 ![]() |
refractive index | n |
SMILES string | CC(C)CCS |
Packaging: | 1 kg in glass bottle |
Packaging: | 100 g in glass bottle |
Symbol | ![]() ![]() |
Signal word | Danger |
Hazard statements | H225 - H315 - H319 - H335 |
Precautionary statements | P210 - P302 + P352 - P305 + P351 + P338 |
Hazard Codes | F,Xi |
Risk Statements | 11-36/37/38 |
Safety Statements | 16-26-36 |
RIDADR | UN1111 - class 3 - PG 2 - Amyl mercaptans |
WGK Germany | WGK 3 |
Flash Point(F) | 64.4 °F - closed cup |
Flash Point(C) | 18 °C - closed cup |
Purity | ≥97% |
bp | 117-118 °C (lit.) |
Density | 0.835 g/mL at 25 °C (lit.) |
Refractive Index | n |
FEMA Number | 3858 |
UNSPSC | 12164502 |