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S-(2,5-Dimethyl-3-furanyl) 3-methylbutanethioate

S-(2,5-Dimethyl-3-furanyl) 3-methylbutanethioate structure

CAS No:
55764-28-8
Formula:
C11H16O2S
Chemical Name:
S-(2,5-Dimethyl-3-furanyl) 3-methylbutanethioate
Synonyms:
Butanethioic acid,3-methyl-,S-(2,5-dimethyl-3-furanyl) ester;S-(2,5-Dimethyl-3-furanyl) 3-methylbutanethioate;3-(Isovalerylthio)-2,5-dimethylfuran
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

2,5-Dimethyl-3-furanthioisovalerate has a roast aroma.

Clear liquid; roast aroma

S-2,5-Dimethyl-3-furanyl 3-methylbutanethioate is an aryl sulfide.

S-(2,5-Dimethyl-3-furanyl) 3-methylbutanethioate Basic Attributes

Molecular Weight：

212.30854

Exact Mass：

212.31

EC Number：

259-802-6

UNII：

L186I8YZ6T

DSSTox ID：

DTXSID70204316

Characteristics

PSA：

55.5

XLogP3：

3.56120

Density：

1.07 g/cm3

Boiling Point：

277ºC at 760 mmHg

Flash Point：

121.3ºC

Refractive Index：

1.514

Water Solubility：

12.94 mg/L @ 25 °C (est)|Insoluble in water; slighty soluble in fat|Miscible at room temperature (in ethanol)

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 233 companies from 1 notifications to the ECHA C&L Inventory.

S-(2,5-Dimethyl-3-furanyl) 3-methylbutanethioate Use and Manufacturing

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:212.31
XLogP3:3.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:212.08710092
Monoisotopic Mass:212.08710092
Topological Polar Surface Area:55.5
Heavy Atom Count:14
Complexity:204
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of S-(2,5-Dimethyl-3-furanyl) 3-methylbutanethioate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

S-(2,5-Dimethyl-3-furanyl) 3-methylbutanethioate

SDS

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