4-Methyl-2-heptanol

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  • Identifiers

    CAS number
    56298-90-9

    Molecular formula
    C8H18O

    SMILES
    CCCC(C)CC(C)O

    Safety labels

  • Odor profile

    Fragrance
    Green 84.3%
    Floral 73.16%
    Fruity 57.97%
    Oily 56.23%
    Sweet 46.24%
    Fatty 45.47%
    Fresh 44.65%
    Citrus 44.56%
    Herbal 43.29%
    Rose 38.92%

     

    Flavor
    Green 48.43%
    Fresh 46.08%
    Oily 36.41%
    Floral 35.17%
    Citrus 33.01%
    Waxy 31.62%
    Mild 30.44%
    Mushroom 29.61%
    Bitter 28.54%
    Earthy 27.05%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.28 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    167°C

    Flash point

    • 66.04 ˚C est.

    Solubility expt.

    • 1.73 mg/mL at 25 °C

  • Synonyms

    • 4-Methyl-2-heptanol
    • 4-methylheptan-2-ol
    • 2-Heptanol, 4-methyl-
    • DTXSID60875771
    • RefChem:99727
    • DTXCID001013890
    • GUHWHNUGIGOSCN-UHFFFAOYSA-N
    • 56298-90-9
    • 4-methyl-heptan-2-ol
    • SCHEMBL1658535
    • SCHEMBL2328421
    • SCHEMBL27841590
    • CHEBI:165509
    • LMFA05000630
    • MFCD00060895
    • AKOS011898637
    • AS-83069
    • E77700
    • EN300-1838736
    • 56298-90-9

  • Applications

    4-Methyl-2-heptanol is used as a fragrance and odorant component in cosmetics and perfumery, and serves as an intermediate in the synthesis of fragrance and flavor compounds. It may also function as a solvent or co-solvent in cosmetics, personal care, and household cleaning formulations. In industrial manufacturing, the compound acts as an intermediate for other chemicals and can serve as a solvent for coatings, inks, and plastics. Additionally, it can be considered a building block for specialty polymers, depending on formulation constraints and local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6390.96
    methanol 5952.97
    isopropanol 5226.87
    water 1.87
    ethyl acetate 1335.89
    n-propanol 4473.5
    acetone 2346.97
    n-butanol 4382.04
    acetonitrile 1689.19
    DMF 1284.12
    toluene 393.43
    isobutanol 3069.67
    1,4-dioxane 3190.99
    methyl acetate 983.59
    THF 5745.06
    2-butanone 1452.64
    n-pentanol 2282.59
    sec-butanol 3262.22
    n-hexane 1112.63
    ethylene glycol 616.71
    NMP 1061.79
    cyclohexane 1215.98
    DMSO 1834.62
    n-butyl acetate 2174.96
    n-octanol 1087.99
    chloroform 2561.94
    n-propyl acetate 854.96
    acetic acid 1933.91
    dichloromethane 1885.79
    cyclohexanone 2358.5
    propylene glycol 1159.44
    isopropyl acetate 822.84
    DMAc 583.37
    2-ethoxyethanol 1423.04
    isopentanol 2857.84
    n-heptane 1376.75
    ethyl formate 961.14
    1,2-dichloroethane 1089.05
    n-hexanol 4820.19
    2-methoxyethanol 2963.59
    isobutyl acetate 526.83
    tetrachloromethane 581.81
    n-pentyl acetate 757.37
    transcutol 2605.58
    n-heptanol 1333.85
    ethylbenzene 224.37
    MIBK 787.89
    2-propoxyethanol 3344.11
    tert-butanol 4385.37
    MTBE 2394.66
    2-butoxyethanol 1297.86
    propionic acid 1510.34
    o-xylene 242.53
    formic acid 496.92
    diethyl ether 2563.56
    m-xylene 311.16
    p-xylene 302.41
    chlorobenzene 479.24
    dimethyl carbonate 147.44
    n-octane 249.32
    formamide 416.34
    cyclopentanone 2104.71
    2-pentanone 1488.42
    anisole 384.82
    cyclopentyl methyl ether 1924.21
    gamma-butyrolactone 1862.5
    1-methoxy-2-propanol 2040.63
    pyridine 1249.13
    3-pentanone 766.04
    furfural 1106.65
    n-dodecane 135.04
    diethylene glycol 1446.87
    diisopropyl ether 702.26
    tert-amyl alcohol 2496.47
    acetylacetone 814.07
    n-hexadecane 147.1
    acetophenone 281.86
    methyl propionate 706.4
    isopentyl acetate 1621.05
    trichloroethylene 1447.38
    n-nonanol 836.95
    cyclohexanol 2609.68
    benzyl alcohol 402.76
    2-ethylhexanol 2274.47
    isooctanol 870.51
    dipropyl ether 2444.68
    1,2-dichlorobenzene 358.44
    ethyl lactate 274.05
    propylene carbonate 943.72
    n-methylformamide 987.21
    2-pentanol 2419.57
    n-pentane 1041.24
    1-propoxy-2-propanol 2670.52
    1-methoxy-2-propyl acetate 1043.79
    2-(2-methoxypropoxy) propanol 634.56
    mesitylene 217.76
    ε-caprolactone 1662.92
    p-cymene 331.26
    epichlorohydrin 1867.57
    1,1,1-trichloroethane 1084.19
    2-aminoethanol 1641.27
    morpholine-4-carbaldehyde 1251.41
    sulfolane 1535.18
    2,2,4-trimethylpentane 281.96
    2-methyltetrahydrofuran 3835.8
    n-hexyl acetate 1120.44
    isooctane 274.42
    2-(2-butoxyethoxy)ethanol 1085.71
    sec-butyl acetate 506.24
    tert-butyl acetate 818.74
    decalin 265.92
    glycerin 915.59
    diglyme 1623.0
    acrylic acid 803.32
    isopropyl myristate 380.66
    n-butyric acid 2804.89
    acetyl acetate 487.57
    di(2-ethylhexyl) phthalate 296.56
    ethyl propionate 548.34
    nitromethane 1447.27
    1,2-diethoxyethane 1304.39
    benzonitrile 584.83
    trioctyl phosphate 299.12
    1-bromopropane 1443.77
    gamma-valerolactone 2297.13
    n-decanol 584.11
    triethyl phosphate 265.92
    4-methyl-2-pentanol 1045.86
    propionitrile 1596.31
    vinylene carbonate 655.97
    1,1,2-trichlorotrifluoroethane 1040.82
    DMS 326.68
    cumene 177.62
    2-octanol 782.2
    2-hexanone 1083.48
    octyl acetate 498.41
    limonene 836.52
    1,2-dimethoxyethane 2162.12
    ethyl orthosilicate 313.33
    tributyl phosphate 339.47
    diacetone alcohol 939.35
    N,N-dimethylaniline 249.51
    acrylonitrile 1086.16
    aniline 612.58
    1,3-propanediol 2358.12
    bromobenzene 441.72
    dibromomethane 1646.91
    1,1,2,2-tetrachloroethane 1272.21
    2-methyl-cyclohexyl acetate 655.31
    tetrabutyl urea 401.27
    diisobutyl methanol 881.41
    2-phenylethanol 747.97
    styrene 261.26
    dioctyl adipate 440.36
    dimethyl sulfate 194.39
    ethyl butyrate 1018.03
    methyl lactate 337.35
    butyl lactate 559.25
    diethyl carbonate 436.7
    propanediol butyl ether 1033.6
    triethyl orthoformate 679.36
    p-tert-butyltoluene 330.02
    methyl 4-tert-butylbenzoate 383.71
    morpholine 3892.12
    tert-butylamine 3154.42
    n-dodecanol 441.54
    dimethoxymethane 1046.08
    ethylene carbonate 727.32
    cyrene 396.3
    2-ethoxyethyl acetate 653.06
    2-ethylhexyl acetate 1201.56
    1,2,4-trichlorobenzene 394.98
    4-methylpyridine 1102.59
    dibutyl ether 1239.1
    2,6-dimethyl-4-heptanol 881.41
    DEF 1022.0
    dimethyl isosorbide 938.87
    tetrachloroethylene 919.87
    eugenol 381.05
    triacetin 481.14
    span 80 884.67
    1,4-butanediol 732.73
    1,1-dichloroethane 1469.63
    2-methyl-1-pentanol 1372.15
    methyl formate 567.42
    2-methyl-1-butanol 2416.76
    n-decane 260.68
    butyronitrile 2422.18
    3,7-dimethyl-1-octanol 958.94
    1-chlorooctane 592.78
    1-chlorotetradecane 211.2
    n-nonane 300.97
    undecane 178.13
    tert-butylcyclohexane 294.58
    cyclooctane 333.01
    cyclopentanol 2813.22
    tetrahydropyran 4520.33
    tert-amyl methyl ether 1331.4
    2,5,8-trioxanonane 973.77
    1-hexene 1858.19
    2-isopropoxyethanol 936.52
    2,2,2-trifluoroethanol 308.32
    methyl butyrate 863.02

    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