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2-Methylbenzenethiol

Chemical Properties

Melting point	10-12 °C(lit.)
Boiling point	195 °C(lit.)
Density	1.054 g/mL at 25 °C(lit.)
FEMA	3240 \| O-TOLUENETHIOL
refractive index	n20/D 1.578(lit.)
Flash point	147 °F
storage temp.	Store below +30°C.
form	Liquid
pka	pK1:6.64 (25°C)
Specific Gravity	1.055
color	Clear colorless to pale yellow
Odor	at 0.10 % in propylene glycol. meaty sulfurous onion garlic egg rubber
Odor Type	meaty
biological source	synthetic
explosive limit	1.1%(V)
Water Solubility	insoluble
Sensitive	Stench
Merck	14,9325
JECFA Number	528
BRN	774068
Henry's Law Constant	2.7×10^-2 mol/(m³Pa) at 25℃, HSDB (2015)
InChI	1S/C7H8S/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
InChIKey	LXUNZSDDXMPKLP-UHFFFAOYSA-N
SMILES	Cc1ccccc1S
LogP	2.98
CAS DataBase Reference	137-06-4(CAS DataBase Reference)
NIST Chemistry Reference	Benzenethiol, 2-methyl-(137-06-4)
EPA Substance Registry System	Benzenethiol, 2-methyl- (137-06-4)

Hazard Codes	Xi,Xn
Risk Statements	37/38-41-36/37/38-20/21/22
Safety Statements	26-39-36/37/39-23
RIDADR	2810
WGK Germany	3
RTECS	XT8750000
Hazard Note	Harmful/Irritant/Stench
TSCA	TSCA listed
HazardClass	6.1
PackingGroup	III
HS Code	29309090
Storage Class	10 - Combustible liquids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3
Hazardous Substances Data	137-06-4(Hazardous Substances Data)
Toxicity	mouse,LD50,intraperitoneal,100mg/kg (100mg/kg),National Technical Information Service. Vol. AD277-689,