3-Methyltetrahydrofuran

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  • Identifiers

    CAS number
    13423-15-9

    Molecular formula
    C5H10O

    SMILES
    CC1CCOC1

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 71.47%
    Ethereal 65.05%
    Solvent 62.63%
    Mint 38.83%
    Fermented 38.18%
    Musty 35.14%
    Pungent 33.79%
    Alcoholic 31.95%
    Camphoreous 27.68%
    Oily 26.72%

     

    Flavor
    Caramel 32.98%
    Vegetable 24.13%
    Musty 22.05%
    Roasted 21.86%
    Cauliflower 21.72%
    Minty 21.54%
    Earthy 21.15%
    Shrimp 21.01%
    Warm 20.38%
    Alkaline 20.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.4 (neutral)

    Molecular weight
    86.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    83°C

    Flash point

    • -6.92 ˚C est.

  • Synonyms

    • 3-Methyltetrahydrofuran
    • 13423-15-9
    • Furan, tetrahydro-3-methyl-
    • EINECS 236-537-4
    • DTXSID40871216
    • EC 236-537-4
    • NSC 91487
    • RefChem:94967
    • DTXCID80818887
    • LJPCNSSTRWGCMZ-UHFFFAOYSA-N
    • 3-methyloxolane
    • Tetrahydro-3-methylfuran
    • MFCD00039681
    • 3-methyl tetrahydofuran
    • 3-methyl tetrahydrofuran
    • SCHEMBL10188
    • SCHEMBL27399
    • SCHEMBL2036831
    • SCHEMBL2041979
    • SCHEMBL2046757
    • SCHEMBL4059268
    • SCHEMBL4694207
    • SCHEMBL14720583
    • SCHEMBL28993998
    • NSC91487
    • NSC-91487
    • STK328115
    • AKOS022180776
    • SY054654
    • DB-063018
    • M0230
    • NS00001672
    • F16704
    • 13423-15-9

  • Applications

    3-Methyltetrahydrofuran (CAS 13423-15-9) is primarily used as a solvent and reaction medium in industrial manufacturing and pharmaceutical synthesis, often chosen as a replacement for THF in polymerization and organometallic reactions. It is also used as a solvent for the extraction and processing of natural products and botanically derived oils used in fragrance and cosmetics. Additionally, 3-MeTHF serves as a solvent or diluent in coatings, inks, and adhesives formulations in the coatings and printing industries. The solvent has been evaluated for electrolyte applications in certain battery chemistries and may appear in cleaning formulations and equipment sanitation in industrial settings, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1640.2
    methanol 1343.87
    isopropanol 1074.43
    water 23.85
    ethyl acetate 906.77
    n-propanol 1152.13
    acetone 630.81
    n-butanol 1076.84
    acetonitrile 1017.34
    DMF 455.85
    toluene 247.17
    isobutanol 715.64
    1,4-dioxane 971.71
    methyl acetate 735.21
    THF 1100.46
    2-butanone 598.47
    n-pentanol 571.63
    sec-butanol 915.72
    n-hexane 93.55
    ethylene glycol 494.53
    NMP 379.71
    cyclohexane 123.34
    DMSO 513.72
    n-butyl acetate 585.57
    n-octanol 294.53
    chloroform 2711.37
    n-propyl acetate 374.95
    acetic acid 1996.25
    dichloromethane 1773.57
    cyclohexanone 526.4
    propylene glycol 734.43
    isopropyl acetate 449.14
    DMAc 431.25
    2-ethoxyethanol 836.82
    isopentanol 751.66
    n-heptane 118.92
    ethyl formate 558.11
    1,2-dichloroethane 712.35
    n-hexanol 742.57
    2-methoxyethanol 1378.26
    isobutyl acetate 220.77
    tetrachloromethane 596.14
    n-pentyl acetate 279.27
    transcutol 2063.11
    n-heptanol 337.42
    ethylbenzene 111.61
    MIBK 290.57
    2-propoxyethanol 1017.86
    tert-butanol 1008.21
    MTBE 553.03
    2-butoxyethanol 612.24
    propionic acid 1059.22
    o-xylene 155.44
    formic acid 699.71
    diethyl ether 718.74
    m-xylene 173.17
    p-xylene 143.42
    chlorobenzene 373.82
    dimethyl carbonate 185.88
    n-octane 37.27
    formamide 646.16
    cyclopentanone 576.14
    2-pentanone 486.22
    anisole 286.32
    cyclopentyl methyl ether 470.36
    gamma-butyrolactone 742.41
    1-methoxy-2-propanol 973.5
    pyridine 801.38
    3-pentanone 326.41
    furfural 767.12
    n-dodecane 28.68
    diethylene glycol 859.09
    diisopropyl ether 185.87
    tert-amyl alcohol 751.55
    acetylacetone 470.96
    n-hexadecane 29.64
    acetophenone 223.57
    methyl propionate 476.75
    isopentyl acetate 417.56
    trichloroethylene 1423.7
    n-nonanol 253.48
    cyclohexanol 554.71
    benzyl alcohol 315.79
    2-ethylhexanol 406.3
    isooctanol 248.55
    dipropyl ether 404.42
    1,2-dichlorobenzene 319.25
    ethyl lactate 224.0
    propylene carbonate 542.43
    n-methylformamide 506.6
    2-pentanol 686.71
    n-pentane 130.8
    1-propoxy-2-propanol 780.23
    1-methoxy-2-propyl acetate 479.71
    2-(2-methoxypropoxy) propanol 418.49
    mesitylene 98.07
    ε-caprolactone 559.0
    p-cymene 120.28
    epichlorohydrin 877.44
    1,1,1-trichloroethane 997.33
    2-aminoethanol 921.22
    morpholine-4-carbaldehyde 615.41
    sulfolane 504.06
    2,2,4-trimethylpentane 69.99
    2-methyltetrahydrofuran 820.81
    n-hexyl acetate 366.64
    isooctane 49.43
    2-(2-butoxyethoxy)ethanol 659.41
    sec-butyl acetate 256.76
    tert-butyl acetate 363.74
    decalin 46.24
    glycerin 782.98
    diglyme 994.91
    acrylic acid 906.89
    isopropyl myristate 132.2
    n-butyric acid 1437.82
    acetyl acetate 526.83
    di(2-ethylhexyl) phthalate 135.5
    ethyl propionate 314.5
    nitromethane 1251.91
    1,2-diethoxyethane 572.43
    benzonitrile 397.87
    trioctyl phosphate 96.87
    1-bromopropane 562.85
    gamma-valerolactone 752.76
    n-decanol 182.39
    triethyl phosphate 148.99
    4-methyl-2-pentanol 352.54
    propionitrile 722.78
    vinylene carbonate 521.58
    1,1,2-trichlorotrifluoroethane 982.89
    DMS 230.7
    cumene 84.38
    2-octanol 193.69
    2-hexanone 310.15
    octyl acetate 185.94
    limonene 184.84
    1,2-dimethoxyethane 670.65
    ethyl orthosilicate 160.66
    tributyl phosphate 120.98
    diacetone alcohol 480.58
    N,N-dimethylaniline 162.11
    acrylonitrile 773.92
    aniline 515.15
    1,3-propanediol 1075.37
    bromobenzene 351.14
    dibromomethane 1202.43
    1,1,2,2-tetrachloroethane 1119.61
    2-methyl-cyclohexyl acetate 229.59
    tetrabutyl urea 124.42
    diisobutyl methanol 196.73
    2-phenylethanol 365.36
    styrene 152.55
    dioctyl adipate 180.77
    dimethyl sulfate 191.24
    ethyl butyrate 395.91
    methyl lactate 322.45
    butyl lactate 253.95
    diethyl carbonate 255.89
    propanediol butyl ether 510.11
    triethyl orthoformate 280.23
    p-tert-butyltoluene 114.44
    methyl 4-tert-butylbenzoate 231.54
    morpholine 1239.73
    tert-butylamine 706.0
    n-dodecanol 136.19
    dimethoxymethane 428.83
    ethylene carbonate 445.37
    cyrene 221.09
    2-ethoxyethyl acetate 395.05
    2-ethylhexyl acetate 304.06
    1,2,4-trichlorobenzene 382.54
    4-methylpyridine 580.97
    dibutyl ether 296.45
    2,6-dimethyl-4-heptanol 196.73
    DEF 459.91
    dimethyl isosorbide 421.1
    tetrachloroethylene 805.62
    eugenol 257.21
    triacetin 344.72
    span 80 402.04
    1,4-butanediol 402.75
    1,1-dichloroethane 1033.72
    2-methyl-1-pentanol 436.53
    methyl formate 324.88
    2-methyl-1-butanol 670.63
    n-decane 49.39
    butyronitrile 824.12
    3,7-dimethyl-1-octanol 292.42
    1-chlorooctane 156.89
    1-chlorotetradecane 60.98
    n-nonane 49.45
    undecane 35.86
    tert-butylcyclohexane 48.48
    cyclooctane 44.63
    cyclopentanol 580.26
    tetrahydropyran 879.69
    tert-amyl methyl ether 374.98
    2,5,8-trioxanonane 587.6
    1-hexene 267.47
    2-isopropoxyethanol 545.62
    2,2,2-trifluoroethanol 674.7
    methyl butyrate 398.9

    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