3-Ethyl-4-methylpentan-1-ol

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  • Identifiers

    CAS number
    38514-13-5

    Molecular formula
    C8H18O

    SMILES
    CCC(CCO)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Oily 48.74%
    Floral 48.27%
    Herbal 46.02%
    Green 44.91%
    Woody 42.77%
    Mint 39.69%
    Fermented 38.78%
    Sweet 34.75%
    Fruity 34.57%
    Rose 33.55%

     

    Flavor
    Green 36.07%
    Fresh 32.96%
    Oily 28.89%
    Citrus 28.67%
    Bitter 27.51%
    Musty 26.16%
    Floral 25.48%
    Mild 25.38%
    Leathery 24.11%
    Yeasty 24.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.46 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    181°C

    Flash point

    • 73.4 ˚C est.

  • Synonyms

    • 3-ethyl-4-methylpentan-1-ol
    • 3-Ethyl-4-methyl-1-pentanol
    • 1-Pentanol, 3-ethyl-4-methyl-
    • 3-Isopropyl-1-pentanol
    • RefChem:93835
    • RWIFVESHBHTZEM-UHFFFAOYSA-N
    • 38514-13-5
    • 3-ethyl-4-methylpentanol
    • SCHEMBL3397591
    • SCHEMBL4400623
    • SCHEMBL4400624
    • MFCD30247932
    • SY310603
    • G66221
    • 38514-13-5

  • Applications

    Chemical name: 3-Ethyl-4-methylpentan-1-ol (CAS 38514-13-5) is a branched C8 aliphatic primary alcohol commonly used in fragrance formulations as an odorant and fragrance ingredient, contributing to scent profiles with moderate volatility. It also serves as an intermediate in the synthesis of fragrance esters and related aroma compounds. In cosmetics and personal care, it may function as a solvent or processing aid within formulations. In industrial manufacturing, it can act as a chemical building block for further transformations or as a solvent in coatings, inks, and cleaning formulations, subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1707.19
    methanol 1452.91
    isopropanol 1547.98
    water 1.08
    ethyl acetate 547.29
    n-propanol 1463.4
    acetone 679.18
    n-butanol 1239.21
    acetonitrile 577.13
    DMF 398.81
    toluene 181.41
    isobutanol 976.03
    1,4-dioxane 1385.52
    methyl acetate 534.04
    THF 2031.2
    2-butanone 654.12
    n-pentanol 663.43
    sec-butanol 1047.87
    n-hexane 175.85
    ethylene glycol 252.92
    NMP 464.91
    cyclohexane 226.28
    DMSO 722.9
    n-butyl acetate 831.27
    n-octanol 331.97
    chloroform 1103.91
    n-propyl acetate 373.33
    acetic acid 566.28
    dichloromethane 745.65
    cyclohexanone 907.86
    propylene glycol 364.58
    isopropyl acetate 315.64
    DMAc 225.51
    2-ethoxyethanol 567.67
    isopentanol 862.76
    n-heptane 213.42
    ethyl formate 367.68
    1,2-dichloroethane 559.17
    n-hexanol 1457.51
    2-methoxyethanol 1043.08
    isobutyl acetate 246.6
    tetrachloromethane 366.76
    n-pentyl acetate 296.02
    transcutol 1064.39
    n-heptanol 442.88
    ethylbenzene 110.15
    MIBK 284.52
    2-propoxyethanol 1319.58
    tert-butanol 1617.28
    MTBE 978.26
    2-butoxyethanol 574.68
    propionic acid 624.08
    o-xylene 128.99
    formic acid 171.44
    diethyl ether 794.91
    m-xylene 151.63
    p-xylene 133.33
    chlorobenzene 287.45
    dimethyl carbonate 64.51
    n-octane 60.03
    formamide 163.55
    cyclopentanone 982.88
    2-pentanone 489.55
    anisole 208.99
    cyclopentyl methyl ether 721.76
    gamma-butyrolactone 946.54
    1-methoxy-2-propanol 713.2
    pyridine 581.37
    3-pentanone 312.02
    furfural 569.53
    n-dodecane 32.61
    diethylene glycol 707.56
    diisopropyl ether 230.58
    tert-amyl alcohol 1007.35
    acetylacetone 307.32
    n-hexadecane 36.7
    acetophenone 160.11
    methyl propionate 322.28
    isopentyl acetate 629.34
    trichloroethylene 823.53
    n-nonanol 271.1
    cyclohexanol 839.76
    benzyl alcohol 203.1
    2-ethylhexanol 664.67
    isooctanol 337.49
    dipropyl ether 675.09
    1,2-dichlorobenzene 239.62
    ethyl lactate 142.86
    propylene carbonate 426.11
    n-methylformamide 393.38
    2-pentanol 720.45
    n-pentane 170.9
    1-propoxy-2-propanol 986.08
    1-methoxy-2-propyl acetate 458.54
    2-(2-methoxypropoxy) propanol 269.7
    mesitylene 107.75
    ε-caprolactone 699.49
    p-cymene 141.08
    epichlorohydrin 956.78
    1,1,1-trichloroethane 693.06
    2-aminoethanol 592.42
    morpholine-4-carbaldehyde 549.17
    sulfolane 871.57
    2,2,4-trimethylpentane 80.07
    2-methyltetrahydrofuran 1479.39
    n-hexyl acetate 377.98
    isooctane 80.67
    2-(2-butoxyethoxy)ethanol 472.17
    sec-butyl acetate 224.55
    tert-butyl acetate 380.47
    decalin 79.12
    glycerin 352.5
    diglyme 729.42
    acrylic acid 358.02
    isopropyl myristate 144.32
    n-butyric acid 964.17
    acetyl acetate 203.7
    di(2-ethylhexyl) phthalate 122.51
    ethyl propionate 250.44
    nitromethane 524.91
    1,2-diethoxyethane 515.74
    benzonitrile 303.05
    trioctyl phosphate 121.57
    1-bromopropane 594.55
    gamma-valerolactone 1000.37
    n-decanol 194.01
    triethyl phosphate 126.22
    4-methyl-2-pentanol 364.5
    propionitrile 712.5
    vinylene carbonate 337.64
    1,1,2-trichlorotrifluoroethane 526.01
    DMS 160.45
    cumene 92.6
    2-octanol 267.54
    2-hexanone 390.82
    octyl acetate 181.37
    limonene 270.7
    1,2-dimethoxyethane 787.34
    ethyl orthosilicate 145.51
    tributyl phosphate 130.84
    diacetone alcohol 447.55
    N,N-dimethylaniline 121.37
    acrylonitrile 544.88
    aniline 291.03
    1,3-propanediol 872.31
    bromobenzene 267.16
    dibromomethane 648.21
    1,1,2,2-tetrachloroethane 732.21
    2-methyl-cyclohexyl acetate 273.5
    tetrabutyl urea 142.06
    diisobutyl methanol 338.13
    2-phenylethanol 352.81
    styrene 121.38
    dioctyl adipate 158.75
    dimethyl sulfate 104.73
    ethyl butyrate 408.24
    methyl lactate 159.39
    butyl lactate 240.43
    diethyl carbonate 199.55
    propanediol butyl ether 364.79
    triethyl orthoformate 275.12
    p-tert-butyltoluene 143.94
    methyl 4-tert-butylbenzoate 197.16
    morpholine 1479.53
    tert-butylamine 1124.97
    n-dodecanol 145.69
    dimethoxymethane 339.64
    ethylene carbonate 333.59
    cyrene 195.34
    2-ethoxyethyl acetate 305.13
    2-ethylhexyl acetate 467.41
    1,2,4-trichlorobenzene 265.42
    4-methylpyridine 489.03
    dibutyl ether 335.65
    2,6-dimethyl-4-heptanol 338.13
    DEF 366.51
    dimethyl isosorbide 433.8
    tetrachloroethylene 540.75
    eugenol 201.35
    triacetin 199.33
    span 80 323.42
    1,4-butanediol 287.71
    1,1-dichloroethane 775.47
    2-methyl-1-pentanol 460.5
    methyl formate 239.73
    2-methyl-1-butanol 751.54
    n-decane 61.56
    butyronitrile 832.66
    3,7-dimethyl-1-octanol 322.24
    1-chlorooctane 203.92
    1-chlorotetradecane 69.08
    n-nonane 68.59
    undecane 42.96
    tert-butylcyclohexane 96.72
    cyclooctane 71.45
    cyclopentanol 959.68
    tetrahydropyran 1626.18
    tert-amyl methyl ether 494.14
    2,5,8-trioxanonane 424.67
    1-hexene 443.93
    2-isopropoxyethanol 419.58
    2,2,2-trifluoroethanol 147.59
    methyl butyrate 362.51

    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