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3-[(2-Methyl-3-furanyl)thio]-4-heptanone

3-[(2-Methyl-3-furanyl)thio]-4-heptanone structure

CAS No:
61295-41-8
Formula:
C12H18O2S
Chemical Name:
3-[(2-Methyl-3-furanyl)thio]-4-heptanone
Synonyms:
4-Heptanone,3-[(2-methyl-3-furanyl)thio]-;3-[(2-Methyl-3-furanyl)thio]-4-heptanone;3-[(2-Methyl-3-furyl)thio]-4-heptanone;1407167-58-1
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

3-[(2-Methyl-3-furyl)-thio]-4-heptanone has a roasted meat odor.

Clear colourless to pale yellow iquid; roast, meaty odour

3-[(2-Methyl-3-furanyl)thio]-4-heptanone is an aryl sulfide.

3-[(2-Methyl-3-furanyl)thio]-4-heptanone Basic Attributes

Molecular Weight：

226.34

Exact Mass：

226.34

EC Number：

262-690-1

DSSTox ID：

DTXSID6047157

HScode：

2932190090

Characteristics

PSA：

55.5

XLogP3：

3.82790

Density：

1.05g/cm3

Boiling Point：

293.3ºC at 760mmHg

Flash Point：

131.2ºC

Refractive Index：

1.51

Water Solubility：

Insoluble in water; 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 1523 companies from 2 notifications to the ECHA C&L Inventory.

3-[(2-Methyl-3-furanyl)thio]-4-heptanone Use and Manufacturing

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:226.34
XLogP3:3.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:226.10275099
Monoisotopic Mass:226.10275099
Topological Polar Surface Area:55.5
Heavy Atom Count:15
Complexity:206
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(2-Methyl-3-furanyl)thio]-4-heptanone

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

3-[(2-Methyl-3-furanyl)thio]-4-heptanone

SDS

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