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2-[[(1-Methylethyl)thio]methyl]furan

2-[[(1-Methylethyl)thio]methyl]furan structure

CAS No:
1883-78-9
Formula:
C8H12OS
Chemical Name:
2-[[(1-Methylethyl)thio]methyl]furan
Synonyms:
Furan,2-[[(1-methylethyl)thio]methyl]-;Furan,2-[(isopropylthio)methyl]-;2-[[(1-Methylethyl)thio]methyl]furan;Isopropyl furfuryl sulfide;2-[(Propan-2-ylsulfanyl)methyl]furan;2-((Isopropylthio)methyl)furan;2-(Propan-2-ylsulfanylmethyl)furan
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Furfuryl isopropyl sulfde has an alliaceous, savory, meaty aroma on dilution.

Colourless liquid; burnt, roasted, garlic, savory, coffee-like

2-[[(1-Methylethyl)thio]methyl]furan Basic Attributes

Molecular Weight：

156.25

Exact Mass：

156.25

BRN：

1306593

EC Number：

917-717-8

UNII：

5OTT266RL5

DSSTox ID：

DTXSID5047665

HScode：

29321900

Characteristics

PSA：

38.4

XLogP3：

2.60

Appearance：

Colourless liquid

Density：

0.998 g/mL at 25 °C(lit.)

Boiling Point：

79-80 °C12 mm Hg(lit.)

Flash Point：

168 °F

Refractive Index：

n 20/D 1.504(lit.)

Water Solubility：

235.1 mg/L @ 25 °C (est)|Insoluble in water,soluble in organic solvents|Miscible at room temperature (in ethanol)

Vapor Pressure：

0.47mmHg at 25°C

Safety Information

Transport codes：

UN 3334

wgk germany：

hazard class code：

36/37/38-10

safety instructions：

23-24/25-36/37/39-26

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 90 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-[[(1-Methylethyl)thio]methyl]furan Use and Manufacturing

Uses

Used as food flavor

Manufacturing Info：

Furan, 2-[[(1-methylethyl)thio]methyl]-: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:156.25
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:156.06088618
Monoisotopic Mass:156.06088618
Topological Polar Surface Area:38.4
Heavy Atom Count:10
Complexity:93.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[(1-Methylethyl)thio]methyl]furan

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

2-[[(1-Methylethyl)thio]methyl]furan

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