2-Butanethiol Structure

2-Butanethiol

Chemical Properties

Melting point -165°
Boiling point 84.6-85.2 °C(lit.)
Density  0.83 g/mL at 25 °C(lit.)
vapor pressure  142 mm Hg ( 37.7 °C)
refractive index  n20/D 1.436(lit.)
FLAVIS Number 12.104 | Butane-2-thiol
Flash point 70 °F
storage temp.  Store below +30°C.
solubility  1.32g/l
form  liquid
pka 10.92±0.10(Predicted)
Specific Gravity 0.83
color  Colorless to Almost colorless
Odor sulfurous
Odor Threshold 0.00003ppm
explosive limit 1.7-9.6%(V)
Merck  14,1578
Henry's Law Constant 1.3×10-3 mol/(m3Pa) at 25℃, Plyasunova et al. (2004)
InChI 1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChIKey LOCHFZBWPCLPAN-UHFFFAOYSA-N
SMILES SC(CC)C
LogP 2.180
CAS DataBase Reference 513-53-1(CAS DataBase Reference)
FDA UNII Y2D731QBYN
NIST Chemistry Reference 2-Butanethiol(513-53-1)
EPA Substance Registry System 2-Butanethiol (513-53-1)
UNSPSC Code 12352105
NACRES NA.22

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)Environment (GHS09)
Signal wordDanger
Hazard statements H315-H319-H317-H335-H411-H225
Precautionary statements P501-P273-P272-P240-P261-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P333+P313-P304+P340+P312-P403+P233-P403+P235-P405
Hazard Codes  F,Xi
Risk Statements  11-36/37/38
Safety Statements  16-26-36
RIDADR  UN 2347 3/PG 2
WGK Germany  3
F  13
TSCA  TSCA listed
HazardClass  3.1
PackingGroup  II
HS Code  29309070
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 2
Hazardous Substances Data 513-53-1(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 5176 mg/kg LD50 dermal Rabbit > 2000 mg/kg
NFPA 704:
3
2 0

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