Octanal, 2-(2-furanylmethylene)-

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  • Identifiers

    CAS number
    67801-17-6

    Molecular formula
    C13H18O2

    SMILES
    CCCCCCC(=CC1=CC=CO1)C=O

  • Odor profile

    Fragrance
    Green 69.34%
    Fruity 54.43%
    Floral 49.77%
    Fatty 48.24%
    Waxy 43.72%
    Jasmin 41.98%
    Herbal 41.64%
    Oily 40.73%
    Aldehydic 39.82%
    Metallic 38.68%

     

    Flavor
    Herbal 64.3%
    Green 45.86%
    Oily 35.11%
    Waxy 34.55%
    Fresh 32.88%
    Spicy 32.88%
    Floral 31.68%
    Fatty 30.36%
    Jasmin 30.34%
    Woody 30.13%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.11 (neutral)

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    290°C

    Flash point

    • 128.12 ˚C est.

  • Synonyms

    • Octanal, 2-(2-furanylmethylene)-
    • 67801-17-6
    • DTXSID9070612
    • Furfurylidene octanal
    • alpha-Hexyl-2-furanacrolein
    • EINECS 267-137-8
    • 2-furfurylene octanal
    • DTXCID6045036
    • SCHEMBL20608572
    • NS00012485

  • Applications

    Octanal, 2-(2-furanylmethylene)- (CAS 67801-17-6) is an aldehyde-based compound used mainly as a fragrance ingredient and fragrance intermediate in the perfumery, cosmetics, and household products industries; it may be used as a flavor/aroma precursor in food-related applications and product development; it can be included in cosmetics and personal care formulations to impart or enhance scent; in industrial manufacturing it often serves as an intermediate for the synthesis of aroma compounds and related odorants, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1540.8
    methanol 1780.0
    isopropanol 779.05
    water 0.04
    ethyl acetate 2057.23
    n-propanol 1099.04
    acetone 2453.02
    n-butanol 906.61
    acetonitrile 1477.92
    DMF 2116.87
    toluene 793.42
    isobutanol 688.93
    1,4-dioxane 1464.32
    methyl acetate 1588.48
    THF 2185.34
    2-butanone 2081.35
    n-pentanol 555.93
    sec-butanol 753.3
    n-hexane 40.02
    ethylene glycol 161.12
    NMP 1154.66
    cyclohexane 91.47
    DMSO 2756.1
    n-butyl acetate 897.06
    n-octanol 133.66
    chloroform 3216.29
    n-propyl acetate 883.25
    acetic acid 680.83
    dichloromethane 3998.86
    cyclohexanone 1881.43
    propylene glycol 328.48
    isopropyl acetate 1031.12
    DMAc 1721.49
    2-ethoxyethanol 833.83
    isopentanol 712.65
    n-heptane 18.54
    ethyl formate 671.26
    1,2-dichloroethane 3002.32
    n-hexanol 485.62
    2-methoxyethanol 1541.03
    isobutyl acetate 537.6
    tetrachloromethane 226.68
    n-pentyl acetate 374.39
    transcutol 3531.74
    n-heptanol 138.24
    ethylbenzene 309.19
    MIBK 740.01
    2-propoxyethanol 901.72
    tert-butanol 780.26
    MTBE 1156.8
    2-butoxyethanol 374.22
    propionic acid 657.79
    o-xylene 306.76
    formic acid 174.75
    diethyl ether 1654.97
    m-xylene 377.47
    p-xylene 336.58
    chlorobenzene 960.87
    dimethyl carbonate 452.21
    n-octane 9.11
    formamide 400.06
    cyclopentanone 2021.32
    2-pentanone 1532.99
    anisole 733.88
    cyclopentyl methyl ether 1088.73
    gamma-butyrolactone 1712.95
    1-methoxy-2-propanol 1110.46
    pyridine 2071.69
    3-pentanone 1117.44
    furfural 1254.71
    n-dodecane 9.84
    diethylene glycol 609.06
    diisopropyl ether 291.34
    tert-amyl alcohol 651.02
    acetylacetone 1485.05
    n-hexadecane 12.07
    acetophenone 634.31
    methyl propionate 1438.98
    isopentyl acetate 780.27
    trichloroethylene 4664.08
    n-nonanol 124.29
    cyclohexanol 684.84
    benzyl alcohol 549.87
    2-ethylhexanol 262.22
    isooctanol 126.31
    dipropyl ether 364.54
    1,2-dichlorobenzene 754.91
    ethyl lactate 281.87
    propylene carbonate 863.13
    n-methylformamide 849.98
    2-pentanol 520.05
    n-pentane 33.43
    1-propoxy-2-propanol 589.41
    1-methoxy-2-propyl acetate 851.94
    2-(2-methoxypropoxy) propanol 455.4
    mesitylene 198.39
    ε-caprolactone 1261.14
    p-cymene 129.17
    epichlorohydrin 2673.82
    1,1,1-trichloroethane 1706.86
    2-aminoethanol 469.42
    morpholine-4-carbaldehyde 1122.93
    sulfolane 1758.88
    2,2,4-trimethylpentane 32.8
    2-methyltetrahydrofuran 1642.76
    n-hexyl acetate 506.34
    isooctane 26.63
    2-(2-butoxyethoxy)ethanol 636.99
    sec-butyl acetate 589.9
    tert-butyl acetate 877.61
    decalin 55.44
    glycerin 334.39
    diglyme 1280.06
    acrylic acid 506.33
    isopropyl myristate 177.65
    n-butyric acid 1087.05
    acetyl acetate 803.75
    di(2-ethylhexyl) phthalate 165.77
    ethyl propionate 751.31
    nitromethane 1640.93
    1,2-diethoxyethane 1060.83
    benzonitrile 701.97
    trioctyl phosphate 100.71
    1-bromopropane 1480.85
    gamma-valerolactone 1857.25
    n-decanol 90.52
    triethyl phosphate 202.01
    4-methyl-2-pentanol 264.8
    propionitrile 1085.86
    vinylene carbonate 765.97
    1,1,2-trichlorotrifluoroethane 1297.18
    DMS 571.63
    cumene 172.39
    2-octanol 95.41
    2-hexanone 847.29
    octyl acetate 205.21
    limonene 202.77
    1,2-dimethoxyethane 1304.71
    ethyl orthosilicate 194.12
    tributyl phosphate 156.7
    diacetone alcohol 777.2
    N,N-dimethylaniline 367.52
    acrylonitrile 1271.99
    aniline 838.03
    1,3-propanediol 607.93
    bromobenzene 1134.29
    dibromomethane 2454.91
    1,1,2,2-tetrachloroethane 3022.5
    2-methyl-cyclohexyl acetate 347.06
    tetrabutyl urea 206.12
    diisobutyl methanol 151.58
    2-phenylethanol 458.04
    styrene 506.26
    dioctyl adipate 271.27
    dimethyl sulfate 594.0
    ethyl butyrate 524.71
    methyl lactate 415.11
    butyl lactate 276.94
    diethyl carbonate 340.29
    propanediol butyl ether 360.55
    triethyl orthoformate 298.16
    p-tert-butyltoluene 124.2
    methyl 4-tert-butylbenzoate 352.07
    morpholine 2244.92
    tert-butylamine 461.34
    n-dodecanol 68.83
    dimethoxymethane 1462.64
    ethylene carbonate 660.76
    cyrene 368.23
    2-ethoxyethyl acetate 669.46
    2-ethylhexyl acetate 534.64
    1,2,4-trichlorobenzene 923.7
    4-methylpyridine 1848.78
    dibutyl ether 317.56
    2,6-dimethyl-4-heptanol 151.58
    DEF 1462.13
    dimethyl isosorbide 681.04
    tetrachloroethylene 1635.02
    eugenol 356.91
    triacetin 504.66
    span 80 312.88
    1,4-butanediol 223.27
    1,1-dichloroethane 2421.34
    2-methyl-1-pentanol 501.56
    methyl formate 527.68
    2-methyl-1-butanol 679.65
    n-decane 15.88
    butyronitrile 1056.64
    3,7-dimethyl-1-octanol 197.76
    1-chlorooctane 129.4
    1-chlorotetradecane 48.5
    n-nonane 14.08
    undecane 12.03
    tert-butylcyclohexane 49.08
    cyclooctane 21.86
    cyclopentanol 563.47
    tetrahydropyran 1967.69
    tert-amyl methyl ether 682.72
    2,5,8-trioxanonane 781.22
    1-hexene 341.21
    2-isopropoxyethanol 586.1
    2,2,2-trifluoroethanol 165.98
    methyl butyrate 1035.22

    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