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2-Butylfuran

2-Butylfuran structure

CAS No:
4466-24-4
Formula:
C8H12O
Chemical Name:
2-Butylfuran
Synonyms:
Furan,2-butyl-;2-Butylfuran;2-n-Butylfuran
Categories:
Organic Chemistry > Aldehydes

Description

Colorless liquid; spicy aroma.

Colourless liquid; Spicy aroma

2-butylfuran is a member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a butyl group. It is a constituent found in several plant species and some cooked foods. It has a role as a human metabolite, a plant metabolite and a flavouring agent.

2-Butylfuran Basic Attributes

Molecular Weight：

124.183

Exact Mass：

124.18

EC Number：

224-732-7

UNII：

81JV9ZYK0D

DSSTox ID：

DTXSID8073340

HScode：

2932190090

Characteristics

PSA：

13.1

XLogP3：

2.62220

Appearance：

Colourless liquid; Spicy aroma

Density：

0.8983 g/cm³ @ Temp: 25 °C

Boiling Point：

137-138 °C

Flash Point：

32°C

Refractive Index：

1.4457 (15ºC)

Water Solubility：

Insoluble in water

Safety Information

Packing level：

III

Hazard category：

Transport codes：

3271

hazard class code：

R10

safety instructions：

S7-S33-S43-S60

Marks：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P305+P351+P338, P310, P330, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (15.56%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P305+P351+P338, P310, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Butylfuran Use and Manufacturing

Uses

Flavoring Agents -> JECFA Flavorings Index

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:124.18
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:124.088815002
Monoisotopic Mass:124.088815002
Topological Polar Surface Area:13.1
Heavy Atom Count:9
Complexity:71
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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