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β,5-Dimethyl-2-furanpropanal

β,5-Dimethyl-2-furanpropanal structure

CAS No:
31704-80-0
Formula:
C9H12O2
Chemical Name:
β,5-Dimethyl-2-furanpropanal
Synonyms:
2-Furanpropanal,β,5-dimethyl-;2-Furanpropionaldehyde,β,5-dimethyl-;β,5-Dimethyl-2-furanpropanal;3-(5-Methyl-2-furyl)butyraldehyde;3-(5-Methylfuryl)butanal;3-(5-Methylfuran-2-yl)butyraldehyde;3-(5-Methyl-2-furyl)butanal;3-(5-Methylfuran-2-yl)butanal;123821-11-4
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

3-(5-Methyl-2-furyl)butanal has vegetable, fruity, fatty undertones.

Colourless liquid; Vegetable, fruity aroma

3-(5-Methyl-2-furanyl)butanal is a heteroarene.

β,5-Dimethyl-2-furanpropanal Basic Attributes

Molecular Weight：

152.19

Exact Mass：

152.19

EC Number：

250-771-4

HScode：

2932190090

Characteristics

PSA：

30.2

XLogP3：

2.28050

Appearance：

Colourless liquid; Vegetable, fruity aroma

Density：

1.0079 g/cm³ @ Temp: 20 °C

Boiling Point：

88 °C @ Press: 14 Torr

Flash Point：

136 °F

Refractive Index：

n20/D 1.472(lit.)

Water Solubility：

705.5 mg/L @ 25 °C (est)|Insoluble in water; Soluble in oils|Soluble (in ethanol)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1989 3/PG 3

wgk germany：

hazard class code：

safety instructions：

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H315 (96.26%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 1419 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

β,5-Dimethyl-2-furanpropanal Use and Manufacturing

Manufacturing Info：

2-Furanpropanal, .beta.,5-dimethyl-: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:152.19
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:152.083729621
Monoisotopic Mass:152.083729621
Topological Polar Surface Area:30.2
Heavy Atom Count:11
Complexity:134
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of β,5-Dimethyl-2-furanpropanal

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

β,5-Dimethyl-2-furanpropanal

SDS

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