1003-04-9

Name Tetrahydrothiophen-3-one
CAS 1003-04-9
EINECS(EC#) 213-698-9
Molecular Formula C4H6OS
MDL Number MFCD00005412
Molecular Weight 102.15
MOL File 1003-04-9.mol
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Chemical Properties

Boiling point  175 °C(lit.)
density  1.194 g/mL at 25 °C(lit.)
vapor density  >1 (vs air)
FEMA  3266
refractive index  n20/D 1.528(lit.)
Fp  171 °F
storage temp.  2-8°C
solubility  Soluble in DMSO
form  Liquid
color  Colorless to pale yellow
Specific Gravity 1.194
Odor at 0.10 % in dipropylene glycol. garlic meaty green vegetables clams buttery
biological source synthetic
Odor Type alliaceous
JECFA Number 498
BRN  105201
Major Application flavors and fragrances
InChI 1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2
InChIKey DSXFPRKPFJRPIB-UHFFFAOYSA-N
SMILES O=C1CCSC1
LogP -0.29
CAS DataBase Reference 1003-04-9(CAS DataBase Reference)
NIST Chemistry Reference Dihydro-3-(2H)-thiophenone(1003-04-9)
EPA Substance Registry System 1003-04-9(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements 
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:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
RIDADR  UN 3334
WGK Germany  3
F  8-13
Hazard Note  Irritant
TSCA  Yes
HS Code  29349990
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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