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Merck

W331715

2-Pentylfuran

greener alternative

natural (US), ≥97%, FG

Synonym(s):

2-Amylfuran

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About This Item

Empirical Formula (Hill Notation):
C9H14O
CAS Number:
3777-69-3
Molecular Weight:
138.21
FEMA Number:
3317
Council of Europe no.:
10966
UNSPSC Code:
12164502
PubChem Substance ID:
329830597
Flavis number:
13.059
EC Number:
223-234-7
NACRES:
NA.21
MDL number:
MFCD00036497
Organoleptic:
green; earthy; vegetable; fruity
Grade:
FG, Fragrance grade, Kosher, natural (US)
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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SMILES string

CCCCCc1ccco1

InChI key

YVBAUDVGOFCUSG-UHFFFAOYSA-N

InChI

1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3

grade

FG, Fragrance grade, Kosher, natural (US)

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002

assay

≥97%

greener alternative product characteristics

Less Hazardous Chemical Syntheses
Use of Renewable Feedstocks
Learn more about the Principles of Green Chemistry.

sustainability

Greener Alternative Product

Quality Level

300

bp

64-66 °C/23 mmHg (lit.)

density

0.883 g/mL at 20 °C (lit.), 0.886 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

greener alternative category

Aligned

organoleptic

green; earthy; vegetable; fruity

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General description

2-Pentylfuran is a volatile heterocyclic compound reported to be the responsible for the undesirable reversion flavor of soybean oil. It may be formed by the autoxidation of linoleic acid.
Color: may darken over time
We are committed to bringing you greener alternative products, which adhere to one or more of the 12 Principles of Green Chemistry. This product is Biobased and thus aligns with "Less Hazardous Chemical Syntheses" and "Use of Renewable Feedstocks".

pictograms

FlameExclamation mark
GHS02,GHS07

signalword

Warning

hcodes

H226,H302

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

114.8 °F

flash_point_c

46 °C

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT2481
SHBS6383
SHBS4749
SHBR7253
SHBR4294

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Analysis of autoxidized fats by gas chromatography-mass spectrometry: VII. Volatile thermal decomposition products of pure hydroperoxides from autoxidized and photosensitized oxidized methyl oleate, linoleate and linolenate.
Frankel EN, et al.
Lipids, 16(5), 279-285 (1981)
Isolation and identification of 2-pentyl-furan as contributing to the reversion flavour of soyabean oil
Chang SS, et al.
Chemistry & Industry, 46, 1926-1926 (1966)
A systematic characterization of the reversion flavor of soybean oil.
Smouse TH & Chang SS
Journal of the American Oil Chemists' Society, 44(8), 509-514 (1967)
Identification of 2?Pentyl Furan in Fats and Oils and Its Relationship to the Reversion Flavor of Soybean Oil.
Krishnamurthy RG, et al.
Journal of Food Science, 32(4), 372-374 (1967)
Singlet Oxygen Oxidation for 2?Pentylfuran and 2?Pentenyfuran Formation in Soybean Oil.
Min DB, et al.
Journal of Food Science, 68(4), 1175-1178 (2003)
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