13679-72-6

Name 2-Acetyl-3-methylthiophene
CAS 13679-72-6
EINECS(EC#) 237-179-1
Molecular Formula C7H8OS
MDL Number MFCD00005443
Molecular Weight 140.2
MOL File 13679-72-6.mol
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Chemical Properties

Boiling point  98-99 °C14 mm Hg(lit.)
density  1.124 g/mL at 25 °C(lit.)
refractive index  n20/D 1.562(lit.)
Fp  199 °F
storage temp.  2-8°C
Specific Gravity 1.126
Appearance Colorless to light yellow Liquid
Odor phenolic wintergreen almond floral cananga
Odor Type phenolic
BRN  112023
InChI 1S/C7H8OS/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3
InChIKey YBJDKNXEWQSGEL-UHFFFAOYSA-N
SMILES CC(=O)c1sccc1C
LogP 0.683 (est)
CAS DataBase Reference 13679-72-6(CAS DataBase Reference)
NIST Chemistry Reference 2-Acetyl-3-methylthiophene(13679-72-6)

Safety Data

Hazard Codes  Xi
Risk Statements 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
Safety Statements 
S36/37:Wear suitable protective clothing and gloves .
WGK Germany  3
HazardClass  IRRITANT, IRRITANT-HARMFUL
PackingGroup  III
HS Code  29349990
Storage Class 10 - Combustible liquids

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