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2-Pentylfuran

2-Pentylfuran structure

2-Pentylfuran 

structure
  • CAS No:

    3777-69-3

  • Formula:

    C9H14O

  • Chemical Name:

    2-Pentylfuran

  • Synonyms:

    Furan,2-pentyl-;2-Pentylfuran;2-n-Pentylfuran;2-Amylfuran;Dihydro-5-pentyl-2(hydro)-furan

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Colorless to light yellow liqui 2-Pentylfuran has a fruity odor. This compound is also reported as having green bean, metallic, vegetable odor.


Colourless liquid; Fruity aroma


2-pentylfuran is a member of the class of furans that is furan in which the hydrogen at position 2 is replaced by a pentyl group. It is found in many heat-processed foods and drinks. It has a role as an Aspergillus metabolite, a human urinary metabolite, a volatile oil component, an insect repellent, a flavouring agent, a plant growth stimulator and a bacterial metabolite.

2-Pentylfuran Basic Attributes

138.21

138.21

107854

223-234-7

6I0QAJ1JZQ

DTXSID9047679

2932190090

Characteristics

13.1

3.96

Colourless liquid; Fruity aroma

0.838 g/cm3 @ Temp: 19 °C

64-65 °C @ Press: 20.5 Torr

114 °F

1.456

Slightly soluble in water

Oral-Mouse LD50: 1200 mg/kg

Flammable; burning produces irritating fumes

Safety Information

III

3

UN 1993 3/PG 3

3

10-22-41

16-26-39-36/37-23

LU5187000

Xn

Warehouse ventilated, low temperature and dry

Harmful

P280-P305 + P351 + P338

H226-H302-H318

|Warning|H226 (11.37%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1454 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

moderately toxic

Drug Information

2-pentylfuran

2-Pentylfuran Use and Manufacturing

Uses

Flavoring Agents -> JECFA Flavorings Index

Furan, 2-pentyl-: ACTIVE

Food additives -> Flavoring Agents

Flavoring Agents

Computed Properties

Molecular Weight:138.21
XLogP3:3.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:138.104465066
Monoisotopic Mass:138.104465066
Topological Polar Surface Area:13.1
Heavy Atom Count:10
Complexity:80.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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