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2,5-Dimethyl-3-(methylthio)furan

2,5-Dimethyl-3-(methylthio)furan structure

CAS No:
63359-63-7
Formula:
C7H10OS
Chemical Name:
2,5-Dimethyl-3-(methylthio)furan
Synonyms:
Furan,2,5-dimethyl-3-(methylthio)-;2,5-Dimethyl-3-(methylthio)furan;2,5-Dimethyl-3-methylsulfanyl-furan

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2,5-Dimethyl-3-(methylthio)furan Basic Attributes

Molecular Weight：

142.22 g/mol

Exact Mass：

142.22

DSSTox ID：

DTXSID30212750

Characteristics

PSA：

38.4 Å²

XLogP3：

2.6183

Boiling Point：

58 °C (16 mmHg)

Water Solubility：

200.4 mg/L @ 25 °C (est)

2,5-Dimethyl-3-(methylthio)furan Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Normal alkane RI, polar column, temperature ramp	Capillary	Carbowax 20M	1440.		temperature ramp	He, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_start: 70. C; T_end: 180. C	Tressl, R.Silwar, R.Investigation of sulfur-containing components in roasted coffeeJ. Agric. Food Chem.1981, 29, 5, 1078-1082.

Computed Properties

Molecular Weight:142.22
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:142.04523611
Monoisotopic Mass:142.04523611
Topological Polar Surface Area:38.4
Heavy Atom Count:9
Complexity:94.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,5-Dimethyl-3-(methylthio)furan

Basic Attributes
Characteristics
Use and Manufacturing
Analysis Methods
Computed Properties

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