2-(12-Tridecyn-1-yl)furan

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  • Identifiers

    CAS number
    24708-33-6

    Molecular formula
    C17H26O

    SMILES
    C#CCCCCCCCCCCCC1=CC=CO1

    Safety labels

  • Odor profile

    Fragrance
    Fatty 58.31%
    Waxy 50.11%
    Green 40.62%
    Meaty 39.5%
    Fresh 38.53%
    Citrus 38.38%
    Oily 37.95%
    Metallic 36.58%
    Fruity 34.67%
    Floral 33.68%

     

    Flavor
    Fatty 30.7%
    Waxy 27.56%
    Mild 24.82%
    Slightly waxy 22.37%
    Delicate 21.21%
    Bay oil 20.53%
    Carrot 20.2%
    Coumarinic 20.1%
    Bland 20.09%
    Green pepper 19.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    6.88 (neutral)

    Molecular weight
    246.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    319°C

    Flash point

    • 134.22 ˚C est.

  • Synonyms

    • 2-(12-Tridecyn-1-yl)furan
    • DTXSID001312032
    • 24708-33-6
    • RefChem:1060688
    • DTXCID201741841
    • AVOCADYNOFURAN
    • 2-(tridec-12-yn-1-yl)furan
    • SDCCGMLS-0066920.P001
    • 2-tridec-12-ynyluran
    • 2-(trideca-12-ynyl)furan
    • SPECTRUM1505808
    • SCHEMBL8158965
    • CHEMBL1453347
    • CHEBI:177734
    • CCG-214387
    • NCGC00095828-01
    • Q67879708
    • 24708-33-6

  • Applications

    Chemical name: 2-(12-Tridecyn-1-yl)furan; CAS number: 24708-33-6. 2-(12-Tridecyn-1-yl)furan is typically evaluated for use as a fragrance intermediate or odorant, leveraging its long alkyl-alkynyl side chain and furan ring to contribute distinctive notes in perfumery. It may find applications in cosmetics and personal care as an aroma ingredient or formulation component, and in household products as a fragrance additive or fixative. In industrial manufacturing and materials science, it can be explored as a specialty intermediate for fragrance-related polymers, coatings, or inks, or as a building block in synthesis for specialty materials. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1697.48
    methanol 2303.8
    isopropanol 1082.71
    water 0.09
    ethyl acetate 2207.19
    n-propanol 1384.39
    acetone 3162.61
    n-butanol 1184.85
    acetonitrile 1305.53
    DMF 2041.46
    toluene 541.62
    isobutanol 909.56
    1,4-dioxane 2419.88
    methyl acetate 1543.82
    THF 3462.69
    2-butanone 1964.3
    n-pentanol 776.22
    sec-butanol 898.91
    n-hexane 243.09
    ethylene glycol 182.27
    NMP 1304.94
    cyclohexane 635.7
    DMSO 3282.28
    n-butyl acetate 1181.68
    n-octanol 255.98
    chloroform 4419.84
    n-propyl acetate 1462.87
    acetic acid 1075.9
    dichloromethane 5164.55
    cyclohexanone 2842.94
    propylene glycol 303.98
    isopropyl acetate 1224.73
    DMAc 1499.23
    2-ethoxyethanol 1222.2
    isopentanol 869.63
    n-heptane 173.34
    ethyl formate 1001.24
    1,2-dichloroethane 3253.7
    n-hexanol 598.65
    2-methoxyethanol 1849.13
    isobutyl acetate 818.2
    tetrachloromethane 700.5
    n-pentyl acetate 826.08
    transcutol 3350.38
    n-heptanol 267.88
    ethylbenzene 292.7
    MIBK 936.98
    2-propoxyethanol 1079.97
    tert-butanol 958.16
    MTBE 1174.05
    2-butoxyethanol 627.29
    propionic acid 951.34
    o-xylene 292.23
    formic acid 306.54
    diethyl ether 2266.48
    m-xylene 306.76
    p-xylene 356.02
    chlorobenzene 842.71
    dimethyl carbonate 440.3
    n-octane 54.98
    formamide 600.28
    cyclopentanone 2582.45
    2-pentanone 1918.64
    anisole 622.24
    cyclopentyl methyl ether 1601.02
    gamma-butyrolactone 2325.5
    1-methoxy-2-propanol 1212.16
    pyridine 1804.78
    3-pentanone 1315.56
    furfural 1570.18
    n-dodecane 29.88
    diethylene glycol 602.01
    diisopropyl ether 459.96
    tert-amyl alcohol 735.2
    acetylacetone 1685.07
    n-hexadecane 36.18
    acetophenone 613.17
    methyl propionate 1371.0
    isopentyl acetate 851.15
    trichloroethylene 4177.29
    n-nonanol 231.45
    cyclohexanol 1094.18
    benzyl alcohol 447.86
    2-ethylhexanol 394.49
    isooctanol 252.35
    dipropyl ether 1054.78
    1,2-dichlorobenzene 803.06
    ethyl lactate 419.73
    propylene carbonate 1159.41
    n-methylformamide 1091.23
    2-pentanol 732.4
    n-pentane 201.95
    1-propoxy-2-propanol 833.52
    1-methoxy-2-propyl acetate 871.26
    2-(2-methoxypropoxy) propanol 450.95
    mesitylene 211.28
    ε-caprolactone 1790.86
    p-cymene 180.32
    epichlorohydrin 2891.76
    1,1,1-trichloroethane 2081.75
    2-aminoethanol 502.43
    morpholine-4-carbaldehyde 1412.12
    sulfolane 2275.5
    2,2,4-trimethylpentane 67.15
    2-methyltetrahydrofuran 2257.34
    n-hexyl acetate 836.92
    isooctane 53.76
    2-(2-butoxyethoxy)ethanol 723.69
    sec-butyl acetate 804.58
    tert-butyl acetate 1047.94
    decalin 128.41
    glycerin 368.86
    diglyme 1840.4
    acrylic acid 647.98
    isopropyl myristate 258.24
    n-butyric acid 1642.4
    acetyl acetate 1013.65
    di(2-ethylhexyl) phthalate 207.55
    ethyl propionate 1114.01
    nitromethane 2360.7
    1,2-diethoxyethane 1451.36
    benzonitrile 639.91
    trioctyl phosphate 157.41
    1-bromopropane 1925.81
    gamma-valerolactone 2870.14
    n-decanol 158.48
    triethyl phosphate 329.79
    4-methyl-2-pentanol 350.68
    propionitrile 1200.84
    vinylene carbonate 1061.1
    1,1,2-trichlorotrifluoroethane 1611.38
    DMS 588.04
    cumene 187.01
    2-octanol 199.52
    2-hexanone 1224.75
    octyl acetate 314.49
    limonene 325.31
    1,2-dimethoxyethane 2231.43
    ethyl orthosilicate 338.09
    tributyl phosphate 229.49
    diacetone alcohol 840.22
    N,N-dimethylaniline 358.64
    acrylonitrile 1172.23
    aniline 593.68
    1,3-propanediol 776.08
    bromobenzene 973.87
    dibromomethane 3223.79
    1,1,2,2-tetrachloroethane 3386.97
    2-methyl-cyclohexyl acetate 548.2
    tetrabutyl urea 305.14
    diisobutyl methanol 244.87
    2-phenylethanol 382.88
    styrene 401.25
    dioctyl adipate 401.66
    dimethyl sulfate 628.87
    ethyl butyrate 973.56
    methyl lactate 445.12
    butyl lactate 494.52
    diethyl carbonate 556.89
    propanediol butyl ether 499.52
    triethyl orthoformate 638.07
    p-tert-butyltoluene 159.35
    methyl 4-tert-butylbenzoate 464.68
    morpholine 2929.44
    tert-butylamine 630.77
    n-dodecanol 116.95
    dimethoxymethane 1598.32
    ethylene carbonate 1059.56
    cyrene 435.21
    2-ethoxyethyl acetate 1054.72
    2-ethylhexyl acetate 689.28
    1,2,4-trichlorobenzene 830.21
    4-methylpyridine 1347.48
    dibutyl ether 710.23
    2,6-dimethyl-4-heptanol 244.87
    DEF 1554.51
    dimethyl isosorbide 771.96
    tetrachloroethylene 2444.16
    eugenol 411.19
    triacetin 799.16
    span 80 422.1
    1,4-butanediol 324.8
    1,1-dichloroethane 2535.86
    2-methyl-1-pentanol 564.74
    methyl formate 726.06
    2-methyl-1-butanol 785.21
    n-decane 66.06
    butyronitrile 1219.42
    3,7-dimethyl-1-octanol 262.03
    1-chlorooctane 276.81
    1-chlorotetradecane 87.9
    n-nonane 71.75
    undecane 40.92
    tert-butylcyclohexane 96.19
    cyclooctane 137.67
    cyclopentanol 996.58
    tetrahydropyran 3306.98
    tert-amyl methyl ether 752.11
    2,5,8-trioxanonane 946.74
    1-hexene 708.86
    2-isopropoxyethanol 808.41
    2,2,2-trifluoroethanol 330.38
    methyl butyrate 1489.32

    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