2-Pentylfuran

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  • Identifiers

    CAS number
    3777-69-3

    Molecular formula
    C9H14O

    SMILES
    CCCCCC1=CC=CO1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 992.0
    • Carbowax: 1230.14

  • Odor profile

    Green 73.93%
    Fruity 67.56%
    Fatty 62.7%
    Vegetable 51.7%
    Sweet 46.39%
    Nutty 46.06%
    Roasted 45.66%
    Earthy 43.58%
    Burnt 43.07%
    Meaty 40.15%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    Molecular weight
    138.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 64.00 to 66.00 °C. @ 23.00 mm Hg

    Flash point est.
    50.19 ˚C

    Solubility expt.

    • very slightly
    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-PENTYLFURAN
    • 3777-69-3
    • 2-Amylfuran
    • 2-n-Pentylfuran
    • Furan, 2-pentyl-
    • Furan, pentyl-
    • PENTYLFURAN
    • FEMA No. 3317
    • 2-Pentylfuran (natural)
    • 2-pentylfurane
    • 6I0QAJ1JZQ
    • 2-pentyl-furan
    • EINECS 223-234-7
    • BRN 0107854
    • CCRIS 8807
    • DTXSID9047679
    • CHEBI:89197
    • 2-PENTYLFURAN [FHFI]
    • DTXCID7027679
    • FEMA 3317
    • 5-17-01-00390 (Beilstein Handbook Reference)
    • 64079-01-2
    • 2-(N-Pentyl)furan
    • UNII-6I0QAJ1JZQ
    • MFCD00036497
    • 2nPentylfuran
    • 2Amylfuran
    • 2(nPentyl)furan
    • Furan, 2pentyl
    • 2-Pentylfuran; 2-Amylfuran; 2-n-Pentylfuran; Dihydro-5-pentyl-2(hydro)-furan
    • Furane, 2-pentyl
    • AMYLFURAN
    • 2Pentylfuran (natural)
    • 2-(Pent-1-yl)furan
    • 2-Amylfuran; 2-Pentyl furan
    • Amyl furan (2-Pentyl furan)
    • SCHEMBL221257
    • CHEMBL3182720
    • 2-Pentylfuran, >=98%, FG
    • 2-Pentylfuran, analytical standard
    • HY-N7398
    • Tox21_303542
    • s9334
    • AKOS015913798
    • SB61015
    • NCGC00257337-01
    • BS-22948
    • PD144438
    • CAS-3777-69-3
    • DB-003325
    • CS-0119428
    • NS00011970
    • P1209
    • 2-Pentylfuran 100 microg/mL in Acetonitrile
    • 2-Pentylfuran, natural (US), >=97%, FG
    • H11330
    • EN300-7399562
    • Q27161382
    • Z1255423587
    • 223-234-7

  • Applications

    2-Pentylfuran, CAS 3777-69-3, is a naturally occurring flavor compound found in legumes and green tea that is employed as a green, beany, nutty aroma ingredient in food, beverage, tobacco flavoring and perfumery, serves as an odor marker and freshness indicator in food preservation and aroma analysis research, functions as an intermediate for the synthesis of pharmaceuticals and functional materials, and is widely used as an analytical standard in GC-MS methods for quantifying volatile compounds when monitoring oxidative deterioration of edible oils, thereby helping to enhance flavor profiles, sensory stability and process optimisation in industrial production.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9319.78
    methanol 8801.42
    isopropanol 6054.57
    water 0.53
    ethyl acetate 6379.43
    n-propanol 6476.97
    acetone 7682.93
    n-butanol 6143.67
    acetonitrile 5148.31
    DMF 4366.26
    toluene 2027.79
    isobutanol 4700.16
    1,4-dioxane 7955.76
    methyl acetate 3816.46
    THF 8251.36
    2-butanone 4514.2
    n-pentanol 3674.35
    sec-butanol 4330.22
    n-hexane 1244.57
    ethylene glycol 1025.26
    NMP 2169.2
    cyclohexane 1812.12
    DMSO 6000.59
    n-butyl acetate 4562.25
    n-octanol 1161.1
    chloroform 9999.36
    n-propyl acetate 2850.16
    acetic acid 4007.67
    dichloromethane 9816.9
    cyclohexanone 5159.4
    propylene glycol 1582.58
    isopropyl acetate 3110.53
    DMAc 2135.99
    2-ethoxyethanol 3106.99
    isopentanol 4542.57
    n-heptane 694.68
    ethyl formate 2530.45
    1,2-dichloroethane 6097.52
    n-hexanol 4317.26
    2-methoxyethanol 5750.15
    isobutyl acetate 1568.76
    tetrachloromethane 1543.77
    n-pentyl acetate 1519.98
    transcutol 9219.02
    n-heptanol 1128.91
    ethylbenzene 827.87
    MIBK 2124.52
    2-propoxyethanol 4492.58
    tert-butanol 5619.36
    MTBE 5362.79
    2-butoxyethanol 1623.75
    propionic acid 2808.26
    o-xylene 774.04
    formic acid 918.15
    diethyl ether 8253.41
    m-xylene 1035.31
    p-xylene 975.51
    chlorobenzene 2463.77
    dimethyl carbonate 918.18
    n-octane 197.44
    formamide 1206.59
    cyclopentanone 4128.14
    2-pentanone 4426.91
    anisole 1618.9
    cyclopentyl methyl ether 4047.92
    gamma-butyrolactone 3839.9
    1-methoxy-2-propanol 3731.34
    pyridine 5691.11
    3-pentanone 2624.06
    furfural 2767.7
    n-dodecane 134.0
    diethylene glycol 2445.07
    diisopropyl ether 1682.56
    tert-amyl alcohol 3649.51
    acetylacetone 3447.56
    n-hexadecane 155.21
    acetophenone 1136.64
    methyl propionate 3256.53
    isopentyl acetate 3111.49
    trichloroethylene 8810.35
    n-nonanol 934.55
    cyclohexanol 3859.42
    benzyl alcohol 1400.38
    2-ethylhexanol 2012.93
    isooctanol 812.89
    dipropyl ether 3394.79
    1,2-dichlorobenzene 1613.99
    ethyl lactate 669.23
    propylene carbonate 2157.55
    n-methylformamide 2285.23
    2-pentanol 3459.42
    n-pentane 1173.17
    1-propoxy-2-propanol 3149.17
    1-methoxy-2-propyl acetate 2570.03
    2-(2-methoxypropoxy) propanol 1205.55
    mesitylene 582.56
    ε-caprolactone 3780.16
    p-cymene 489.58
    epichlorohydrin 5641.33
    1,1,1-trichloroethane 5166.62
    2-aminoethanol 2455.37
    morpholine-4-carbaldehyde 3085.76
    sulfolane 3303.66
    2,2,4-trimethylpentane 304.02
    2-methyltetrahydrofuran 6445.46
    n-hexyl acetate 2090.2
    isooctane 274.41
    2-(2-butoxyethoxy)ethanol 2005.83
    sec-butyl acetate 1630.76
    tert-butyl acetate 2504.79
    decalin 446.0
    glycerin 1343.16
    diglyme 3600.04
    acrylic acid 1954.23
    isopropyl myristate 665.63
    n-butyric acid 5437.39
    acetyl acetate 2268.73
    di(2-ethylhexyl) phthalate 515.59
    ethyl propionate 2084.11
    nitromethane 4645.55
    1,2-diethoxyethane 4640.47
    benzonitrile 1961.34
    trioctyl phosphate 379.45
    1-bromopropane 5296.47
    gamma-valerolactone 4684.47
    n-decanol 654.82
    triethyl phosphate 495.41
    4-methyl-2-pentanol 1401.07
    propionitrile 4029.72
    vinylene carbonate 1959.46
    1,1,2-trichlorotrifluoroethane 2936.59
    DMS 1272.29
    cumene 480.48
    2-octanol 736.95
    2-hexanone 2759.72
    octyl acetate 821.44
    limonene 1029.87
    1,2-dimethoxyethane 5433.14
    ethyl orthosilicate 567.22
    tributyl phosphate 535.53
    diacetone alcohol 1824.4
    N,N-dimethylaniline 845.85
    acrylonitrile 3504.69
    aniline 2459.88
    1,3-propanediol 3331.01
    bromobenzene 2784.48
    dibromomethane 7249.82
    1,1,2,2-tetrachloroethane 6290.23
    2-methyl-cyclohexyl acetate 1064.56
    tetrabutyl urea 648.5
    diisobutyl methanol 857.28
    2-phenylethanol 1603.33
    styrene 1359.4
    dioctyl adipate 823.65
    dimethyl sulfate 929.43
    ethyl butyrate 2201.67
    methyl lactate 935.72
    butyl lactate 906.82
    diethyl carbonate 1123.03
    propanediol butyl ether 1349.79
    triethyl orthoformate 1183.43
    p-tert-butyltoluene 469.53
    methyl 4-tert-butylbenzoate 803.36
    morpholine 9313.34
    tert-butylamine 4231.96
    n-dodecanol 462.14
    dimethoxymethane 3847.8
    ethylene carbonate 2065.9
    cyrene 748.97
    2-ethoxyethyl acetate 1932.28
    2-ethylhexyl acetate 2142.25
    1,2,4-trichlorobenzene 1664.21
    4-methylpyridine 4667.86
    dibutyl ether 2325.01
    2,6-dimethyl-4-heptanol 857.28
    DEF 3714.63
    dimethyl isosorbide 1615.08
    tetrachloroethylene 4547.56
    eugenol 810.62
    triacetin 1249.6
    span 80 1186.86
    1,4-butanediol 1138.41
    1,1-dichloroethane 7107.22
    2-methyl-1-pentanol 2665.29
    methyl formate 1617.89
    2-methyl-1-butanol 3849.86
    n-decane 248.0
    butyronitrile 5392.85
    3,7-dimethyl-1-octanol 1119.36
    1-chlorooctane 879.79
    1-chlorotetradecane 296.25
    n-nonane 270.51
    undecane 174.35
    tert-butylcyclohexane 383.95
    cyclooctane 420.88
    cyclopentanol 3131.16
    tetrahydropyran 9166.63
    tert-amyl methyl ether 2634.55
    2,5,8-trioxanonane 2024.28
    1-hexene 3670.54
    2-isopropoxyethanol 2011.27
    2,2,2-trifluoroethanol 706.91
    methyl butyrate 2933.25

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Achillea wilhelmsii (Egypt) Achillea wilhelmsii C. Koch (A. santolina Auct. Mult.), fam. Asteraceae 0.05%
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.03%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 0.15%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Orris butter 8002-73-1 Iris florentina L., fam. Iridaceae 0.01%
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.12%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.23%
Santolina chamaecyparisus (Egypt) 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.01%
Mastic gum (Greece) 2 61789-92-2 Pistacia lentiscus L., var. Chia, fam. Anacardiaceae 0.01%
Celery leaf/stem (Libya) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.6%
Sederitis dichotoma (Turkey) Sideritis dichotoma Huter, fam. Lamiaceae (Labiatae) 0.1%
Pear (Japan), Asian Pyrus serotina Rehder (Asian pear), cultivar Chojui, fam. Rosaceae 0.01%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.25%
Heteromorpha trifoliata Heteromorpha trifoliata (Wendl.) Eckl. & Zey., fam.Apiaceae (Umbelliferae) 0.05%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Genet headspace 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 1.0%
Pistacia vera fruit hull (Turkey) Pistacia vera L., fam. Anacardiaceae 0.02%
Achillea biebersteinii (Turkey) 2 Achillea biebersteinii Afan., fam. Asteraceae (Compositae) 0.01%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.01%
Minthostachys spicata Minthostachys spicata (Benth.) Epl., fam Lamiaceae (Labiatae) 0.1%
Salvia syriaca (Turkey) Salvia syriaca L., fam. Lamiaceae (Labiatea) 0.01%
Rose (Turkey) 4 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.01%
Rose (Turkey) 5 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Pelargonium reniforme Pelargonium reniforme Curt., fam. Geraniaceae 0.1%
Helichrysum stoechas (France) 8023-85-8 Helichrysum stoechas L., fam. Asteraceae (Compositae) 0.1%
Eschweilera coriacea flower Eschweilera coriacea (A.P.DC.) Mori, fam. Lecythidaceae 0.8%
Coriander fruit 5 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.01%
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.02%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.03%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.4%
Cordia nitida fruit Cordia nitida Vahl., fam. Borraginaceae 0.5%
Mikania cordata leaf Mikania cordata (Burm.f.) B.L. Robinson var. cordata, fam. Asteraceae 0.9%
Patchouli (China) 3a root 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.2%
Patchouli (China) 3b rhizome 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.18%
Eupatorium cannabinum Eupatorium cannabinum L. ssp. cannabinum, fam. Astercaceae (Compositae) 0.1%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.05%
Rocket leaf 2 headspace Eruca sativa L., fam. Brassicaceae 0.8%
Osage orange fruit, 1b steamdistilled Maclura pomifera (Raf.) Schneid, fam. Moraceae 1.5%
Viola etrusca (Italy) 1a hydrodistilled oil Viola etrusca Erben, fam. Violaceae 0.11%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.01%