3-Methylheptan-4-ol

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  • Identifiers

    CAS number
    1838-73-9

    Molecular formula
    C8H18O

    SMILES
    CCCC(C(C)CC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 71.87%
    Fermented 55.06%
    Oily 55.04%
    Fruity 50.84%
    Alcoholic 50.25%
    Floral 45.41%
    Herbal 41.87%
    Ethereal 39.44%
    Sweet 33.93%
    Musty 33.66%

     

    Flavor
    Fruity 53.57%
    Green 45.52%
    Herbal 36.36%
    Oily 32.01%
    Fresh 31.11%
    Herb 30.54%
    Sweet 29.78%
    Mushroom 26.31%
    Fermented 25.95%
    Mild 25.91%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    9.25 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    163°C

    Flash point

    • 61.99 ˚C est.

  • Synonyms

    • 3-Methyl-4-heptanol
    • 3-Methylheptan-4-ol
    • EINECS 217-414-4
    • RefChem:504225
    • 217-414-4
    • 1838-73-9
    • 4-Heptanol, 3-methyl-
    • 3-Methyl-4-heptanol, erythro + threo
    • 5-Methyl-4-heptanol
    • 3-methyl-heptan-4-ol
    • SCHEMBL104882
    • SCHEMBL475372
    • SCHEMBL4389373
    • DTXSID20875772
    • BAA83873
    • MFCD00021931
    • AKOS009156591
    • NS00045730
    • G89881
    • F553960
    • 1838-73-9

  • Applications

    3-Methylheptan-4-ol (CAS 1838-73-9) is a branched long-chain aliphatic alcohol that can be used in industry as a fragrance ingredient and odorant in perfumery, potentially acting as a fragrance fixative in some formulations. It may serve as a solvent or co-solvent in production processes and as a precursor for the synthesis of other organic compounds; in cosmetics and personal care, it may appear as a fragrance component or processing solvent; in coatings/inks and adhesives, it can be used as a solvent or processing aid to improve solubility and manufacturing workflow; it may also be considered for household cleaning formulations as a fragrance or light solvent, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3080.61
    methanol 1957.95
    isopropanol 3097.54
    water 0.79
    ethyl acetate 1004.45
    n-propanol 2537.41
    acetone 1292.67
    n-butanol 2396.37
    acetonitrile 1527.02
    DMF 755.15
    toluene 405.88
    isobutanol 1989.87
    1,4-dioxane 2403.01
    methyl acetate 849.11
    THF 3473.95
    2-butanone 1246.21
    n-pentanol 1622.11
    sec-butanol 2443.54
    n-hexane 1037.57
    ethylene glycol 188.98
    NMP 792.55
    cyclohexane 1039.18
    DMSO 1067.99
    n-butyl acetate 2262.13
    n-octanol 1119.13
    chloroform 3218.25
    n-propyl acetate 1024.34
    acetic acid 965.03
    dichloromethane 2523.48
    cyclohexanone 1933.72
    propylene glycol 434.09
    isopropyl acetate 645.25
    DMAc 475.78
    2-ethoxyethanol 973.15
    isopentanol 1906.08
    n-heptane 1015.79
    ethyl formate 788.62
    1,2-dichloroethane 1292.93
    n-hexanol 2729.7
    2-methoxyethanol 1345.47
    isobutyl acetate 662.68
    tetrachloromethane 805.95
    n-pentyl acetate 946.43
    transcutol 2130.24
    n-heptanol 1196.08
    ethylbenzene 335.62
    MIBK 652.73
    2-propoxyethanol 1798.21
    tert-butanol 3152.85
    MTBE 2146.26
    2-butoxyethanol 1173.12
    propionic acid 982.69
    o-xylene 279.53
    formic acid 171.36
    diethyl ether 1896.35
    m-xylene 282.39
    p-xylene 460.8
    chlorobenzene 703.55
    dimethyl carbonate 112.54
    n-octane 317.26
    formamide 209.92
    cyclopentanone 1622.59
    2-pentanone 1047.93
    anisole 520.55
    cyclopentyl methyl ether 1260.27
    gamma-butyrolactone 1475.97
    1-methoxy-2-propanol 1104.13
    pyridine 1413.61
    3-pentanone 591.81
    furfural 1013.51
    n-dodecane 174.23
    diethylene glycol 708.21
    diisopropyl ether 609.76
    tert-amyl alcohol 2139.16
    acetylacetone 546.87
    n-hexadecane 190.7
    acetophenone 417.93
    methyl propionate 519.38
    isopentyl acetate 1780.77
    trichloroethylene 1872.46
    n-nonanol 892.79
    cyclohexanol 1758.8
    benzyl alcohol 477.41
    2-ethylhexanol 1831.36
    isooctanol 989.18
    dipropyl ether 1838.27
    1,2-dichlorobenzene 596.65
    ethyl lactate 295.14
    propylene carbonate 916.55
    n-methylformamide 565.6
    2-pentanol 1649.69
    n-pentane 761.23
    1-propoxy-2-propanol 1741.59
    1-methoxy-2-propyl acetate 777.24
    2-(2-methoxypropoxy) propanol 592.67
    mesitylene 222.97
    ε-caprolactone 1481.36
    p-cymene 409.79
    epichlorohydrin 1667.81
    1,1,1-trichloroethane 1477.86
    2-aminoethanol 592.34
    morpholine-4-carbaldehyde 904.12
    sulfolane 1280.08
    2,2,4-trimethylpentane 296.35
    2-methyltetrahydrofuran 2932.26
    n-hexyl acetate 1161.75
    isooctane 280.76
    2-(2-butoxyethoxy)ethanol 926.89
    sec-butyl acetate 603.21
    tert-butyl acetate 653.16
    decalin 318.47
    glycerin 391.27
    diglyme 1502.4
    acrylic acid 542.55
    isopropyl myristate 454.76
    n-butyric acid 1887.54
    acetyl acetate 371.43
    di(2-ethylhexyl) phthalate 314.79
    ethyl propionate 589.1
    nitromethane 965.16
    1,2-diethoxyethane 1384.34
    benzonitrile 872.3
    trioctyl phosphate 322.25
    1-bromopropane 1648.22
    gamma-valerolactone 1663.21
    n-decanol 618.69
    triethyl phosphate 317.81
    4-methyl-2-pentanol 848.37
    propionitrile 1475.04
    vinylene carbonate 698.43
    1,1,2-trichlorotrifluoroethane 857.98
    DMS 323.88
    cumene 280.77
    2-octanol 905.11
    2-hexanone 1179.95
    octyl acetate 542.29
    limonene 797.98
    1,2-dimethoxyethane 1888.58
    ethyl orthosilicate 362.7
    tributyl phosphate 358.35
    diacetone alcohol 701.65
    N,N-dimethylaniline 348.03
    acrylonitrile 1075.45
    aniline 567.83
    1,3-propanediol 1029.96
    bromobenzene 700.05
    dibromomethane 2257.88
    1,1,2,2-tetrachloroethane 1669.55
    2-methyl-cyclohexyl acetate 726.72
    tetrabutyl urea 406.07
    diisobutyl methanol 856.11
    2-phenylethanol 717.51
    styrene 412.4
    dioctyl adipate 478.8
    dimethyl sulfate 156.18
    ethyl butyrate 1181.33
    methyl lactate 232.98
    butyl lactate 624.1
    diethyl carbonate 568.89
    propanediol butyl ether 857.34
    triethyl orthoformate 739.98
    p-tert-butyltoluene 390.64
    methyl 4-tert-butylbenzoate 461.17
    morpholine 2718.58
    tert-butylamine 2681.78
    n-dodecanol 465.01
    dimethoxymethane 555.57
    ethylene carbonate 706.01
    cyrene 396.39
    2-ethoxyethyl acetate 678.21
    2-ethylhexyl acetate 1346.95
    1,2,4-trichlorobenzene 628.51
    4-methylpyridine 1250.03
    dibutyl ether 1409.59
    2,6-dimethyl-4-heptanol 856.11
    DEF 778.84
    dimethyl isosorbide 826.95
    tetrachloroethylene 1170.48
    eugenol 447.97
    triacetin 490.24
    span 80 789.84
    1,4-butanediol 430.24
    1,1-dichloroethane 1833.19
    2-methyl-1-pentanol 1313.47
    methyl formate 353.43
    2-methyl-1-butanol 1717.04
    n-decane 332.86
    butyronitrile 2151.16
    3,7-dimethyl-1-octanol 991.33
    1-chlorooctane 773.58
    1-chlorotetradecane 275.16
    n-nonane 382.99
    undecane 227.22
    tert-butylcyclohexane 368.72
    cyclooctane 308.49
    cyclopentanol 1791.86
    tetrahydropyran 3427.98
    tert-amyl methyl ether 1170.33
    2,5,8-trioxanonane 867.66
    1-hexene 1930.14
    2-isopropoxyethanol 805.93
    2,2,2-trifluoroethanol 185.91
    methyl butyrate 1001.48

    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