107-03-9

Name 1-Propanethiol
CAS 107-03-9
EINECS(EC#) 203-455-5
Molecular Formula C3H8S
MDL Number MFCD00004900
Molecular Weight 76.16
MOL File 107-03-9.mol

Chemical Properties

Appearance clear colourless liquid
Melting point  -113 °C
Boiling point  67-68 °C(lit.)
density  0.841 g/mL at 25 °C(lit.)
vapor density  2.54 (vs air)
vapor pressure  122 mm Hg ( 20 °C)
FEMA  3521
refractive index  n20/D 1.437(lit.)
Fp  −5 °F
storage temp.  Flammables area
solubility  1.9g/l
form  Liquid
pka pK1:10.86 (25°C)
color  Colorless
Odor at 0.10 % in propylene glycol. cabbage natural gas sweet onion
biological source synthetic
Odor Threshold 0.000013ppm
Odor Type alliaceous
Water Solubility  immiscible
Specific Heat Capacity Cp(liquid):144.6J/(g·K),at 25℃
Sensitive  Air Sensitive
JECFA Number 509
BRN  1696860
Henry's Law Constant 1.7×10-3 mol/(m3Pa) at 25℃, Plyasunova et al. (2004)
Exposure limits NIOSH: Ceiling 0.5 ppm(1.6 mg/m3)
InChI 1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
InChIKey SUVIGLJNEAMWEG-UHFFFAOYSA-N
SMILES CCCS
LogP 1.7 at 20℃
Uses
Chemical intermediate, herbicide.
CAS DataBase Reference 107-03-9(CAS DataBase Reference)
NIST Chemistry Reference 1-Propanethiol(107-03-9)
EPA Substance Registry System 1-Propanethiol (107-03-9)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)Environment (GHS09)
GHS02,GHS07,GHS09
Signal word  Danger
Hazard statements  H225-H302-H317-H410
Precautionary statements  P210-P233-P273-P280-P301+P312-P303+P361+P353
Hazard Codes  F,Xn,N
Risk Statements 
R11:Highly Flammable.
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R50:Very Toxic to aquatic organisms.
R36/37/38:Irritating to eyes, respiratory system and skin .
R21/22:Harmful in contact with skin and if swallowed .
Safety Statements 
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S57:Use appropriate container to avoid environmental contamination .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S29:Do not empty into drains .
OEL Ceiling: 0.5 ppm (1.6 mg/m3) [15-minute]
RIDADR  UN 2402 3/PG 2
WGK Germany  3
RTECS  TZ7300000
F  13
TSCA  Yes
REACH Registrations Active
HazardClass  3
PackingGroup  II
HS Code  29309070
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Flam. Liq. 2
Skin Sens. 1B
Safety Profile
A poison. Moderately toxic by intraperitoneal route. Mildly toxic by inhalation. A severe eye irritant. A flammable liquid and very dangerous fire hazard when exposed to heat or flame. Explodes on contact with calcium hypochlorite. When heated to decomposition it emits toxic fumes of SOx. See also MERCAPTANS.
Hazardous Substances Data 107-03-9(Hazardous Substances Data)
Toxicity
LD50 orally in Rabbit: 1790 mg/kg

Hazard Information

Material Safety Data Sheet(MSDS)

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