7217-59-6

Name 2-METHOXYBENZENETHIOL
CAS 7217-59-6
EINECS(EC#) 230-605-7
Molecular Formula C7H8OS
MDL Number MFCD00004834
Molecular Weight 140.2
MOL File 7217-59-6.mol
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Chemical Properties

Appearance clear yellow liquid
Melting point  306.7-313.7 °C (decomp)
Boiling point  99 °C/8 mmHg (lit.)
density  1.152 g/mL at 25 °C(lit.)
FEMA  4159
refractive index  n20/D 1.591(lit.)
Fp  204 °F
storage temp.  under inert gas (nitrogen or Argon) at 2-8°C
solubility  H2O: insoluble
form  Liquid
pka 6.62±0.43(Predicted)
color  Clear yellow
Specific Gravity 1.152
Odor at 1.00 % in propylene glycol. meaty smoked sausage powdery sweet spicy phenolic sulfurous
biological source synthetic
Odor Type meaty
Water Solubility  H2O: insoluble
alcohol: soluble
Sensitive  Stench
Detection Methods HPLC
JECFA Number 1666
BRN  2042178
Stability: Moisture Sensitive
Major Application flavors and fragrances
InChI 1S/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChIKey DSCJETUEDFKYGN-UHFFFAOYSA-N
SMILES COc1ccccc1S
LogP 204.00 °F. TCC
CAS DataBase Reference 7217-59-6(CAS DataBase Reference)
Storage Precautions Air sensitive
EPA Substance Registry System Benzenethiol, 2-methoxy- (7217-59-6)
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Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
RIDADR  3334
WGK Germany  3
RTECS  DC1790000
F  10-13-23
Hazard Note  Harmful/Stench
TSCA  T
HazardClass  IRRITANT, STENCH
HS Code  29309090
Storage Class 10 - Combustible liquids
Hazard Classifications Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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