2,3,5-Trimethylfuran

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  • Identifiers

    CAS number
    10504-04-8

    Molecular formula
    C7H10O

    SMILES
    CC1=CC(=C(O1)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Roasted 65.27%
    Nutty 56.41%
    Burnt 52.69%
    Meaty 50.61%
    Musty 49.74%
    Coffee 47.01%
    Phenolic 41.31%
    Sweet 41.21%
    Earthy 40.51%
    Ethereal 38.1%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.34 (neutral)

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    139°C

    Flash point est.
    10.74 ˚C

  • Synonyms

    • 2,3,5-Trimethylfuran
    • 10504-04-8
    • Furan, 2,3,5-trimethyl-
    • 2,3,5-Trimethyl-Furan
    • MFCD03931179
    • DTXSID10146923
    • 2,3,5-trimethyluran
    • 2,3,5-Trimethylfuran #
    • SCHEMBL182910
    • DTXCID0069414
    • SCHEMBL10768398
    • CHEBI:189311
    • BBL102599
    • GEO-02420
    • STL556402
    • AKOS005257003
    • MS-20465
    • CS-0339599

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2240.46
    methanol 2726.7
    isopropanol 1813.99
    water 114.78
    ethyl acetate 1127.32
    n-propanol 1913.7
    acetone 1113.18
    n-butanol 1872.42
    acetonitrile 1173.3
    DMF 1290.65
    toluene 858.4
    isobutanol 1580.52
    1,4-dioxane 2163.68
    methyl acetate 1088.16
    THF 2353.12
    2-butanone 1101.61
    n-pentanol 1218.68
    sec-butanol 1848.97
    n-hexane 751.16
    ethylene glycol 664.19
    NMP 1304.77
    cyclohexane 644.63
    DMSO 887.81
    n-butyl acetate 477.92
    n-octanol 578.13
    chloroform 3256.38
    n-propyl acetate 470.36
    acetic acid 1092.37
    dichloromethane 2784.25
    cyclohexanone 1163.15
    propylene glycol 772.99
    isopropyl acetate 654.65
    DMAc 1241.75
    2-ethoxyethanol 1416.09
    isopentanol 1456.54
    n-heptane 322.02
    ethyl formate 664.1
    1,2-dichloroethane 1361.32
    n-hexanol 1163.62
    2-methoxyethanol 2209.3
    isobutyl acetate 322.88
    tetrachloromethane 1014.86
    n-pentyl acetate 417.95
    transcutol 1853.75
    n-heptanol 538.26
    ethylbenzene 404.43
    MIBK 549.53
    2-propoxyethanol 1515.01
    tert-butanol 1998.74
    MTBE 1744.76
    2-butoxyethanol 764.29
    propionic acid 958.66
    o-xylene 514.08
    formic acid 731.44
    diethyl ether 2202.18
    m-xylene 529.2
    p-xylene 460.93
    chlorobenzene 767.58
    dimethyl carbonate 374.82
    n-octane 138.36
    formamide 946.12
    cyclopentanone 1125.22
    2-pentanone 929.34
    anisole 762.12
    cyclopentyl methyl ether 1426.18
    gamma-butyrolactone 1161.59
    1-methoxy-2-propanol 1528.05
    pyridine 1180.62
    3-pentanone 824.32
    furfural 977.98
    n-dodecane 95.24
    diethylene glycol 1070.83
    diisopropyl ether 631.16
    tert-amyl alcohol 1896.03
    acetylacetone 696.14
    n-hexadecane 101.86
    acetophenone 439.5
    methyl propionate 926.73
    isopentyl acetate 447.35
    trichloroethylene 1796.19
    n-nonanol 520.39
    cyclohexanol 1354.65
    benzyl alcohol 593.55
    2-ethylhexanol 581.07
    isooctanol 419.36
    dipropyl ether 746.39
    1,2-dichlorobenzene 614.25
    ethyl lactate 270.64
    propylene carbonate 551.13
    n-methylformamide 966.75
    2-pentanol 1401.93
    n-pentane 715.09
    1-propoxy-2-propanol 868.18
    1-methoxy-2-propyl acetate 513.43
    2-(2-methoxypropoxy) propanol 515.4
    mesitylene 322.67
    ε-caprolactone 983.78
    p-cymene 240.11
    epichlorohydrin 1667.58
    1,1,1-trichloroethane 1525.14
    2-aminoethanol 1217.39
    morpholine-4-carbaldehyde 1390.03
    sulfolane 970.68
    2,2,4-trimethylpentane 274.47
    2-methyltetrahydrofuran 2220.83
    n-hexyl acetate 648.97
    isooctane 170.81
    2-(2-butoxyethoxy)ethanol 760.49
    sec-butyl acetate 393.47
    tert-butyl acetate 657.74
    decalin 254.63
    glycerin 872.86
    diglyme 1206.75
    acrylic acid 725.61
    isopropyl myristate 274.08
    n-butyric acid 1067.71
    acetyl acetate 531.18
    di(2-ethylhexyl) phthalate 225.33
    ethyl propionate 526.4
    nitromethane 1248.73
    1,2-diethoxyethane 818.69
    benzonitrile 525.73
    trioctyl phosphate 166.91
    1-bromopropane 1463.26
    gamma-valerolactone 1375.64
    n-decanol 373.97
    triethyl phosphate 214.0
    4-methyl-2-pentanol 643.42
    propionitrile 1027.23
    vinylene carbonate 540.41
    1,1,2-trichlorotrifluoroethane 1000.6
    DMS 403.72
    cumene 310.52
    2-octanol 399.92
    2-hexanone 586.24
    octyl acetate 350.21
    limonene 363.96
    1,2-dimethoxyethane 1593.5
    ethyl orthosilicate 242.77
    tributyl phosphate 202.63
    diacetone alcohol 710.83
    N,N-dimethylaniline 526.51
    acrylonitrile 892.59
    aniline 948.57
    1,3-propanediol 1379.82
    bromobenzene 744.9
    dibromomethane 2083.76
    1,1,2,2-tetrachloroethane 1617.86
    2-methyl-cyclohexyl acetate 347.42
    tetrabutyl urea 247.74
    diisobutyl methanol 306.97
    2-phenylethanol 582.09
    styrene 492.09
    dioctyl adipate 298.98
    dimethyl sulfate 450.38
    ethyl butyrate 417.6
    methyl lactate 431.97
    butyl lactate 270.7
    diethyl carbonate 265.84
    propanediol butyl ether 530.15
    triethyl orthoformate 318.36
    p-tert-butyltoluene 251.08
    methyl 4-tert-butylbenzoate 457.67
    morpholine 2307.21
    tert-butylamine 1649.15
    n-dodecanol 282.39
    dimethoxymethane 1278.61
    ethylene carbonate 510.71
    cyrene 430.01
    2-ethoxyethyl acetate 530.43
    2-ethylhexyl acetate 370.91
    1,2,4-trichlorobenzene 678.99
    4-methylpyridine 1223.58
    dibutyl ether 601.27
    2,6-dimethyl-4-heptanol 306.97
    DEF 1008.09
    dimethyl isosorbide 679.14
    tetrachloroethylene 1236.41
    eugenol 426.22
    triacetin 399.79
    span 80 446.18
    1,4-butanediol 646.61
    1,1-dichloroethane 1728.58
    2-methyl-1-pentanol 1068.27
    methyl formate 662.25
    2-methyl-1-butanol 1612.33
    n-decane 160.48
    butyronitrile 1069.5
    3,7-dimethyl-1-octanol 526.44
    1-chlorooctane 423.52
    1-chlorotetradecane 178.6
    n-nonane 173.2
    undecane 116.89
    tert-butylcyclohexane 272.02
    cyclooctane 243.0
    cyclopentanol 1365.91
    tetrahydropyran 2004.96
    tert-amyl methyl ether 1384.65
    2,5,8-trioxanonane 767.64
    1-hexene 1102.94
    2-isopropoxyethanol 950.93
    2,2,2-trifluoroethanol 499.6
    methyl butyrate 581.3

    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
Tagetes (India) 3 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 1.89%