4-Methyl-3-heptanol

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  • Identifiers

    CAS number
    14979-39-6

    Molecular formula
    C8H18O

    SMILES
    CCCC(C)C(CC)O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Oily 54.6%
    Floral 50.62%
    Herbal 49.25%
    Green 43.98%
    Sweet 42.91%
    Spicy 39.9%
    Fermented 38.92%
    Alcoholic 33.8%
    Woody 33.64%
    Mint 32.28%

     

    Flavor
    Herbal 31.82%
    Fruity 30.58%
    Herb 27.02%
    Oily 26.91%
    Fishy 26.9%
    Fermented 26.73%
    Bitter 26.0%
    Fresh 25.4%
    Onion 24.82%
    Mild 24.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.42 (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

    • 62.23 ˚C est.

  • Synonyms

    • 4-Methyl-3-heptanol
    • 14979-39-6
    • 4-Methylheptan-3-ol
    • 3-HEPTANOL, 4-METHYL-
    • Caswell No. 570A
    • EINECS 239-058-9
    • NSC 93808
    • EPA Pesticide Chemical Code 571200
    • BRN 1733008
    • DTXSID0041519
    • UNII-L4RU749510
    • 4-Methyl-5-heptanol
    • NSC-93808
    • L4RU749510
    • 4-Methyl-3-Heptanol, Erythro + Threo
    • DTXCID8021519
    • NSC93808
    • MFCD00004568
    • 4-methyl-heptan-3-ol
    • SCHEMBL276456
    • CHEMBL3184526
    • 3-Heptanol, 4-methyl- (VAN)
    • 3-Heptanol, 4-methyl- (VAN8C
    • Tox21_300692
    • AKOS009159273
    • 4-Methyl-3-heptanol, threo + erythro
    • 3-Heptanol, 4-methyl-(VAN) (8CI)
    • NCGC00248142-01
    • NCGC00254600-01
    • AS-57601
    • CAS-14979-39-6
    • CS-0447063
    • NS00024898
    • 3-Heptanol, 4-methyl-(VAN) (8CI)(9CI)
    • G77269
    • Q27282706

  • Applications

    4-Methyl-3-heptanol (CAS 14979-39-6) is commonly used in fragrance and cosmetic formulations as a fragrance ingredient and odorant, and can serve as a precursor for fragrance ester synthesis. It is often evaluated as an intermediate for forming esters to yield aroma compounds, and may function as a solvent or co-solvent in coatings, inks, adhesives, and household cleaners. In industrial manufacturing it acts as an intermediate in organic synthesis, enabling the preparation of higher-value alcohols and esters. In consumer products it may act as a fragrance carrier or solvent to support uniform scent release in formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3510.87
    methanol 2809.78
    isopropanol 3151.34
    water 0.89
    ethyl acetate 932.29
    n-propanol 2747.84
    acetone 1160.21
    n-butanol 2622.61
    acetonitrile 1356.57
    DMF 707.28
    toluene 420.09
    isobutanol 1994.61
    1,4-dioxane 2329.39
    methyl acetate 766.91
    THF 3280.6
    2-butanone 1170.84
    n-pentanol 1677.85
    sec-butanol 2364.56
    n-hexane 887.72
    ethylene glycol 241.36
    NMP 651.72
    cyclohexane 865.84
    DMSO 980.12
    n-butyl acetate 2359.13
    n-octanol 1038.29
    chloroform 2985.83
    n-propyl acetate 987.08
    acetic acid 934.76
    dichloromethane 2394.76
    cyclohexanone 1666.32
    propylene glycol 464.84
    isopropyl acetate 620.07
    DMAc 468.46
    2-ethoxyethanol 1074.21
    isopentanol 1975.76
    n-heptane 956.05
    ethyl formate 782.41
    1,2-dichloroethane 1234.15
    n-hexanol 2913.94
    2-methoxyethanol 1631.02
    isobutyl acetate 617.32
    tetrachloromethane 783.46
    n-pentyl acetate 942.51
    transcutol 2263.11
    n-heptanol 1246.29
    ethylbenzene 326.34
    MIBK 619.07
    2-propoxyethanol 2159.42
    tert-butanol 3107.42
    MTBE 2152.63
    2-butoxyethanol 1290.02
    propionic acid 895.68
    o-xylene 267.96
    formic acid 211.63
    diethyl ether 1937.65
    m-xylene 284.43
    p-xylene 422.19
    chlorobenzene 622.17
    dimethyl carbonate 102.24
    n-octane 284.59
    formamide 240.15
    cyclopentanone 1374.23
    2-pentanone 1016.88
    anisole 503.7
    cyclopentyl methyl ether 1202.57
    gamma-butyrolactone 1218.22
    1-methoxy-2-propanol 1169.95
    pyridine 1316.93
    3-pentanone 547.21
    furfural 910.52
    n-dodecane 148.69
    diethylene glycol 843.95
    diisopropyl ether 570.8
    tert-amyl alcohol 2072.05
    acetylacetone 497.97
    n-hexadecane 161.83
    acetophenone 389.6
    methyl propionate 471.61
    isopentyl acetate 1826.1
    trichloroethylene 1693.03
    n-nonanol 832.37
    cyclohexanol 1635.51
    benzyl alcohol 468.45
    2-ethylhexanol 1896.49
    isooctanol 971.03
    dipropyl ether 1873.21
    1,2-dichlorobenzene 528.72
    ethyl lactate 280.8
    propylene carbonate 777.4
    n-methylformamide 568.71
    2-pentanol 1624.07
    n-pentane 709.07
    1-propoxy-2-propanol 1880.44
    1-methoxy-2-propyl acetate 799.65
    2-(2-methoxypropoxy) propanol 574.06
    mesitylene 208.82
    ε-caprolactone 1338.52
    p-cymene 409.15
    epichlorohydrin 1564.8
    1,1,1-trichloroethane 1278.31
    2-aminoethanol 735.75
    morpholine-4-carbaldehyde 876.97
    sulfolane 992.38
    2,2,4-trimethylpentane 267.3
    2-methyltetrahydrofuran 2720.74
    n-hexyl acetate 1078.48
    isooctane 248.93
    2-(2-butoxyethoxy)ethanol 904.61
    sec-butyl acetate 571.69
    tert-butyl acetate 629.98
    decalin 264.41
    glycerin 420.37
    diglyme 1514.21
    acrylic acid 482.85
    isopropyl myristate 401.49
    n-butyric acid 1791.01
    acetyl acetate 335.71
    di(2-ethylhexyl) phthalate 294.16
    ethyl propionate 546.2
    nitromethane 851.95
    1,2-diethoxyethane 1445.1
    benzonitrile 813.15
    trioctyl phosphate 294.37
    1-bromopropane 1599.81
    gamma-valerolactone 1542.95
    n-decanol 565.54
    triethyl phosphate 302.79
    4-methyl-2-pentanol 853.44
    propionitrile 1372.23
    vinylene carbonate 614.76
    1,1,2-trichlorotrifluoroethane 811.42
    DMS 289.67
    cumene 261.06
    2-octanol 840.98
    2-hexanone 1145.15
    octyl acetate 485.76
    limonene 783.38
    1,2-dimethoxyethane 1983.21
    ethyl orthosilicate 361.84
    tributyl phosphate 330.81
    diacetone alcohol 670.62
    N,N-dimethylaniline 329.5
    acrylonitrile 980.18
    aniline 571.84
    1,3-propanediol 1223.54
    bromobenzene 631.85
    dibromomethane 2083.85
    1,1,2,2-tetrachloroethane 1458.84
    2-methyl-cyclohexyl acetate 692.36
    tetrabutyl urea 369.74
    diisobutyl methanol 817.83
    2-phenylethanol 744.38
    styrene 402.2
    dioctyl adipate 430.57
    dimethyl sulfate 131.52
    ethyl butyrate 1198.6
    methyl lactate 221.17
    butyl lactate 585.64
    diethyl carbonate 558.47
    propanediol butyl ether 827.53
    triethyl orthoformate 747.49
    p-tert-butyltoluene 383.04
    methyl 4-tert-butylbenzoate 420.7
    morpholine 2732.09
    tert-butylamine 2532.28
    n-dodecanol 423.25
    dimethoxymethane 597.22
    ethylene carbonate 623.85
    cyrene 371.58
    2-ethoxyethyl acetate 717.12
    2-ethylhexyl acetate 1387.97
    1,2,4-trichlorobenzene 543.38
    4-methylpyridine 1200.67
    dibutyl ether 1297.57
    2,6-dimethyl-4-heptanol 817.83
    DEF 780.5
    dimethyl isosorbide 796.0
    tetrachloroethylene 1098.76
    eugenol 419.48
    triacetin 438.11
    span 80 724.1
    1,4-butanediol 488.85
    1,1-dichloroethane 1689.82
    2-methyl-1-pentanol 1312.14
    methyl formate 342.28
    2-methyl-1-butanol 1756.95
    n-decane 284.79
    butyronitrile 2108.04
    3,7-dimethyl-1-octanol 931.49
    1-chlorooctane 688.76
    1-chlorotetradecane 241.51
    n-nonane 326.72
    undecane 193.19
    tert-butylcyclohexane 311.37
    cyclooctane 263.52
    cyclopentanol 1591.39
    tetrahydropyran 3259.25
    tert-amyl methyl ether 1153.78
    2,5,8-trioxanonane 844.11
    1-hexene 1740.7
    2-isopropoxyethanol 852.96
    2,2,2-trifluoroethanol 174.0
    methyl butyrate 942.71

    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