2-(3-Hexenyl)-5-methylfuran, (3Z)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4868-20-6

    Molecular formula
    C11H16O

    SMILES
    CC/C=C\CCC1=CC=C(O1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 71.53%
    Fatty 59.68%
    Fruity 49.78%
    Vegetable 41.02%
    Tropical 37.05%
    Roasted 35.18%
    Meaty 35.07%
    Floral 35.05%
    Earthy 34.55%
    Nutty 33.48%

     

    Flavor
    Green 47.14%
    Fatty 35.66%
    Spicy 34.46%
    Herbal 30.61%
    Oily 27.88%
    Floral 27.77%
    Fresh 27.26%
    Fruity 25.78%
    Vegetable 24.93%
    Metallic 24.1%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.32 (weak base)

    Molecular weight
    164.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    225°C

    Flash point

    • 76.43 ˚C est.

  • Synonyms

    • (Z)-2-(3-Hexenyl)-5-methylfuran
    • 4868-20-6
    • 2-(3-Hexenyl)-5-methylfuran, (3Z)-
    • EINECS 225-475-3
    • DTXSID901300501
    • 2-(3Z)-3-Hexen-1-yl-5-methylfuran
    • RefChem:455602
    • DTXCID901730617
    • 225-475-3
    • 3354653430
    • UNII-3354653430
    • 2-[(3Z)-HEX-3-EN-1-YL]-5-METHYLFURAN
    • SCHEMBL11810545
    • YCLNYBGZRIUBQT-PLNGDYQASA-N
    • (3Z)-2-(3-hexenyl)-5-methylfuran
    • NS00081360
    • Q27231273
    • 4868-20-6

  • Applications

    2-(3-Hexenyl)-5-methylfuran, (3Z)- is regarded as a fragrance ingredient and potential odorant, commonly evaluated for use in perfumery; it may also serve as a flavor/aroma intermediate in food and beverage contexts. In cosmetics and personal care, it can function as a fragrance ingredient; in household products such as cleaners and air fresheners, it can contribute a green, fresh note; in industrial manufacturing, it can act as an intermediate for the synthesis of more complex fragrance and flavor compounds; subject to local regulations and formulation limits; CAS number: 4868-20-6.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 995.77
    methanol 893.28
    isopropanol 732.87
    water 0.26
    ethyl acetate 1100.28
    n-propanol 827.8
    acetone 1239.39
    n-butanol 922.9
    acetonitrile 703.94
    DMF 1230.58
    toluene 970.38
    isobutanol 720.96
    1,4-dioxane 2410.53
    methyl acetate 941.46
    THF 2328.85
    2-butanone 1120.81
    n-pentanol 744.85
    sec-butanol 805.64
    n-hexane 667.99
    ethylene glycol 208.87
    NMP 1238.65
    cyclohexane 641.11
    DMSO 1840.56
    n-butyl acetate 1012.43
    n-octanol 412.76
    chloroform 3642.3
    n-propyl acetate 656.54
    acetic acid 607.27
    dichloromethane 3010.26
    cyclohexanone 1536.56
    propylene glycol 375.18
    isopropyl acetate 716.03
    DMAc 1473.86
    2-ethoxyethanol 845.37
    isopentanol 899.2
    n-heptane 230.12
    ethyl formate 373.18
    1,2-dichloroethane 1926.58
    n-hexanol 942.11
    2-methoxyethanol 1182.46
    isobutyl acetate 522.05
    tetrachloromethane 567.53
    n-pentyl acetate 527.68
    transcutol 4224.7
    n-heptanol 322.86
    ethylbenzene 443.92
    MIBK 665.32
    2-propoxyethanol 1246.18
    tert-butanol 1005.48
    MTBE 1693.53
    2-butoxyethanol 537.94
    propionic acid 565.04
    o-xylene 483.13
    formic acid 161.64
    diethyl ether 1957.45
    m-xylene 512.67
    p-xylene 491.32
    chlorobenzene 1000.06
    dimethyl carbonate 368.16
    n-octane 85.44
    formamide 223.04
    cyclopentanone 1426.72
    2-pentanone 973.38
    anisole 834.96
    cyclopentyl methyl ether 1441.19
    gamma-butyrolactone 1230.23
    1-methoxy-2-propanol 934.41
    pyridine 1517.95
    3-pentanone 876.81
    furfural 971.97
    n-dodecane 68.94
    diethylene glycol 768.66
    diisopropyl ether 595.72
    tert-amyl alcohol 1005.15
    acetylacetone 1045.28
    n-hexadecane 80.85
    acetophenone 590.1
    methyl propionate 834.53
    isopentyl acetate 965.76
    trichloroethylene 2907.57
    n-nonanol 370.23
    cyclohexanol 976.6
    benzyl alcohol 546.6
    2-ethylhexanol 612.89
    isooctanol 292.0
    dipropyl ether 932.54
    1,2-dichlorobenzene 853.05
    ethyl lactate 279.73
    propylene carbonate 677.2
    n-methylformamide 407.03
    2-pentanol 700.69
    n-pentane 378.0
    1-propoxy-2-propanol 914.36
    1-methoxy-2-propyl acetate 970.77
    2-(2-methoxypropoxy) propanol 774.17
    mesitylene 348.42
    ε-caprolactone 1185.25
    p-cymene 258.35
    epichlorohydrin 1889.45
    1,1,1-trichloroethane 1798.92
    2-aminoethanol 437.85
    morpholine-4-carbaldehyde 1373.58
    sulfolane 1643.15
    2,2,4-trimethylpentane 193.74
    2-methyltetrahydrofuran 2120.69
    n-hexyl acetate 874.47
    isooctane 143.58
    2-(2-butoxyethoxy)ethanol 1043.93
    sec-butyl acetate 531.22
    tert-butyl acetate 872.06
    decalin 301.29
    glycerin 450.4
    diglyme 1532.49
    acrylic acid 434.53
    isopropyl myristate 352.53
    n-butyric acid 856.01
    acetyl acetate 635.59
    di(2-ethylhexyl) phthalate 334.32
    ethyl propionate 597.87
    nitromethane 854.62
    1,2-diethoxyethane 1601.6
    benzonitrile 623.83
    trioctyl phosphate 213.75
    1-bromopropane 1618.62
    gamma-valerolactone 1501.49
    n-decanol 285.8
    triethyl phosphate 293.78
    4-methyl-2-pentanol 441.79
    propionitrile 701.31
    vinylene carbonate 577.58
    1,1,2-trichlorotrifluoroethane 1185.71
    DMS 682.78
    cumene 305.58
    2-octanol 256.44
    2-hexanone 806.69
    octyl acetate 420.43
    limonene 479.87
    1,2-dimethoxyethane 1432.29
    ethyl orthosilicate 335.47
    tributyl phosphate 318.66
    diacetone alcohol 750.63
    N,N-dimethylaniline 572.43
    acrylonitrile 661.93
    aniline 873.36
    1,3-propanediol 582.35
    bromobenzene 1250.36
    dibromomethane 2248.27
    1,1,2,2-tetrachloroethane 2735.14
    2-methyl-cyclohexyl acetate 568.84
    tetrabutyl urea 394.49
    diisobutyl methanol 324.39
    2-phenylethanol 588.31
    styrene 603.57
    dioctyl adipate 491.85
    dimethyl sulfate 584.66
    ethyl butyrate 607.33
    methyl lactate 351.08
    butyl lactate 386.94
    diethyl carbonate 401.23
    propanediol butyl ether 596.78
    triethyl orthoformate 456.46
    p-tert-butyltoluene 267.89
    methyl 4-tert-butylbenzoate 510.44
    morpholine 2397.49
    tert-butylamine 853.69
    n-dodecanol 232.57
    dimethoxymethane 1017.34
    ethylene carbonate 538.29
    cyrene 535.48
    2-ethoxyethyl acetate 796.53
    2-ethylhexyl acetate 809.02
    1,2,4-trichlorobenzene 1028.25
    4-methylpyridine 1429.24
    dibutyl ether 829.79
    2,6-dimethyl-4-heptanol 324.39
    DEF 1098.2
    dimethyl isosorbide 998.78
    tetrachloroethylene 1631.77
    eugenol 461.98
    triacetin 710.2
    span 80 685.35
    1,4-butanediol 289.26
    1,1-dichloroethane 1840.24
    2-methyl-1-pentanol 787.98
    methyl formate 292.11
    2-methyl-1-butanol 891.93
    n-decane 116.6
    butyronitrile 759.03
    3,7-dimethyl-1-octanol 492.56
    1-chlorooctane 423.95
    1-chlorotetradecane 182.22
    n-nonane 123.95
    undecane 86.14
    tert-butylcyclohexane 263.13
    cyclooctane 238.63
    cyclopentanol 785.87
    tetrahydropyran 2428.81
    tert-amyl methyl ether 1168.08
    2,5,8-trioxanonane 1136.79
    1-hexene 1269.58
    2-isopropoxyethanol 709.68
    2,2,2-trifluoroethanol 190.44
    methyl butyrate 712.69

    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