Ethyl 3-(furfurylthio)propionate

Catalog	ACM94278270
CAS	94278-27-0
Structure
Synonyms	Propanoic acid, 3-((2-furanylmethyl)thio)-, ethyl ester
IUPAC Name	Ethyl 3-(furan-2-ylmethylsulfanyl)propanoate
Molecular Weight	214.28
Molecular Formula	C10H14O3S
Canonical SMILES	CCOC(=O)CCSCC1=CC=CO1
InChI	InChI=1S/C10H14O3S/c1-2-12-10(11)5-7-14-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3
InChI Key	ZKCVVCLCYIXCOD-UHFFFAOYSA-N
Boiling Point	120 °C
Flash Point	>230 °F
Purity	95%+
Density	1.125 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in fat
Exact Mass	214.06636548
Monoisotopic Mass	214.06636548
Odor	Pungent roasted sulfury aroma
Physical State	Liquid
Refractive Index	n20/D 1.506(lit.)
Topological Polar Surface Area	64.7 Ų