4-Octanol

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  • Identifiers

    CAS number
    589-62-8

    Molecular formula
    C8H18O

    SMILES
    CCCCC(CCC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 86.86%
    Fruity 72.24%
    Oily 69.2%
    Fermented 62.48%
    Herbal 59.33%
    Alcoholic 55.74%
    Sweet 54.85%
    Musty 49.52%
    Earthy 48.97%
    Pungent 46.91%

     

    Flavor
    Herbal 61.59%
    Green 50.06%
    Spicy 45.58%
    Mushroom 44.55%
    Earthy 40.4%
    Woody 39.37%
    Fresh 38.02%
    Sweet 37.52%
    Herb 34.39%
    Bitter 34.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.14 (weak base)

    Molecular weight
    130.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    171°C

    Flash point

    • 65.63 ˚C est.

  • Synonyms

    • 4-OCTANOL
    • 589-62-8
    • Octan-4-ol
    • n-Octan-4-ol
    • 5HZ7613II2
    • EINECS 209-654-3
    • NSC 66398
    • NSC-66398
    • DL-OCTAN-4-OL
    • AI3-37214
    • DTXSID60870640
    • (+-)-4-Octanol
    • RefChem:526064
    • DTXCID40818343
    • 4-OCTANOL, (+-)-
    • 209-654-3
    • Butylpropylcarbinol
    • MFCD00014409
    • 4-Octyl Alcohol
    • 4-hydroxyoctane
    • Butyl propyl carbinol
    • 4-Octanol, (S)-
    • SCHEMBL78214
    • SCHEMBL78215
    • UNII-5HZ7613II2
    • orb3021414
    • SCHEMBL1869674
    • SCHEMBL1874189
    • SCHEMBL9518949
    • SCHEMBL9943700
    • (+/-)-4-OCTANOL
    • SCHEMBL10901955
    • SCHEMBL27846777
    • SCHEMBL28728248
    • SCHEMBL28728299
    • CHEBI:197503
    • NSC66398
    • 4-OCTANOL, (+/-)-
    • SBB059905
    • 4-Octanol, >=97.0% (GC)
    • AKOS009157179
    • BP-14137
    • BS-52252
    • SY048192
    • DB-053296
    • CS-0362569
    • NS00042589
    • O0155
    • ST51046172
    • D91820
    • F753738
    • Q29863142
    • 589-62-8

  • Applications

    4-Octanol (CAS 589-62-8) is primarily used as a chemical intermediate and solvent in organic synthesis and also serves as a fragrance component in perfumery and cosmetics. It can be converted to esters (such as 4-octyl esters) that function as fragrance ingredients and potential fixatives, and it acts as a precursor for specialty plasticizers and surfactants used in coatings, inks, and cleaning formulations. In industrial manufacturing, it provides processing aid and solvency for various formulations and may be further developed into polymer-related derivatives for plastics applications, all under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7147.15
    methanol 5915.25
    isopropanol 7464.06
    water 0.53
    ethyl acetate 2093.92
    n-propanol 6457.4
    acetone 3521.18
    n-butanol 6411.65
    acetonitrile 2388.84
    DMF 2158.56
    toluene 807.03
    isobutanol 4947.57
    1,4-dioxane 4007.71
    methyl acetate 1503.39
    THF 6598.96
    2-butanone 2604.62
    n-pentanol 3739.15
    sec-butanol 5521.29
    n-hexane 3680.34
    ethylene glycol 543.19
    NMP 1495.22
    cyclohexane 3022.62
    DMSO 2625.66
    n-butyl acetate 3945.87
    n-octanol 1771.91
    chloroform 5349.55
    n-propyl acetate 1857.96
    acetic acid 2099.19
    dichloromethane 3621.05
    cyclohexanone 3912.2
    propylene glycol 1150.34
    isopropyl acetate 1399.29
    DMAc 987.17
    2-ethoxyethanol 1996.89
    isopentanol 4586.59
    n-heptane 2732.33
    ethyl formate 1387.19
    1,2-dichloroethane 2381.55
    n-hexanol 6385.6
    2-methoxyethanol 3383.31
    isobutyl acetate 1176.97
    tetrachloromethane 1335.53
    n-pentyl acetate 1553.16
    transcutol 3700.86
    n-heptanol 2079.46
    ethylbenzene 569.29
    MIBK 1373.32
    2-propoxyethanol 4058.3
    tert-butanol 7276.95
    MTBE 4460.6
    2-butoxyethanol 2022.79
    propionic acid 2169.43
    o-xylene 453.5
    formic acid 373.66
    diethyl ether 4465.48
    m-xylene 504.83
    p-xylene 740.36
    chlorobenzene 1170.53
    dimethyl carbonate 229.85
    n-octane 647.98
    formamide 408.68
    cyclopentanone 3193.51
    2-pentanone 2565.34
    anisole 810.38
    cyclopentyl methyl ether 2810.06
    gamma-butyrolactone 2557.12
    1-methoxy-2-propanol 2781.6
    pyridine 2663.17
    3-pentanone 1314.23
    furfural 1684.85
    n-dodecane 287.01
    diethylene glycol 1573.24
    diisopropyl ether 1342.19
    tert-amyl alcohol 4661.04
    acetylacetone 1174.29
    n-hexadecane 323.2
    acetophenone 636.04
    methyl propionate 1111.94
    isopentyl acetate 2964.8
    trichloroethylene 3100.22
    n-nonanol 1406.78
    cyclohexanol 4114.62
    benzyl alcohol 808.93
    2-ethylhexanol 3702.33
    isooctanol 1618.84
    dipropyl ether 4559.22
    1,2-dichlorobenzene 897.06
    ethyl lactate 532.32
    propylene carbonate 1411.55
    n-methylformamide 1283.37
    2-pentanol 4228.08
    n-pentane 2417.54
    1-propoxy-2-propanol 3747.08
    1-methoxy-2-propyl acetate 1371.5
    2-(2-methoxypropoxy) propanol 913.15
    mesitylene 383.73
    ε-caprolactone 2660.86
    p-cymene 610.73
    epichlorohydrin 2716.71
    1,1,1-trichloroethane 2418.59
    2-aminoethanol 1634.08
    morpholine-4-carbaldehyde 1564.05
    sulfolane 2304.63
    2,2,4-trimethylpentane 549.01
    2-methyltetrahydrofuran 5229.05
    n-hexyl acetate 1856.34
    isooctane 548.72
    2-(2-butoxyethoxy)ethanol 1508.73
    sec-butyl acetate 1117.85
    tert-butyl acetate 1347.7
    decalin 652.22
    glycerin 992.37
    diglyme 2484.32
    acrylic acid 1180.17
    isopropyl myristate 679.75
    n-butyric acid 4308.49
    acetyl acetate 722.12
    di(2-ethylhexyl) phthalate 459.11
    ethyl propionate 1121.27
    nitromethane 1758.27
    1,2-diethoxyethane 2443.37
    benzonitrile 1350.57
    trioctyl phosphate 461.05
    1-bromopropane 3340.09
    gamma-valerolactone 3039.83
    n-decanol 959.64
    triethyl phosphate 491.82
    4-methyl-2-pentanol 1845.08
    propionitrile 3018.25
    vinylene carbonate 1034.42
    1,1,2-trichlorotrifluoroethane 1650.04
    DMS 527.37
    cumene 424.68
    2-octanol 1422.82
    2-hexanone 2412.34
    octyl acetate 784.93
    limonene 1346.68
    1,2-dimethoxyethane 3739.86
    ethyl orthosilicate 583.73
    tributyl phosphate 550.16
    diacetone alcohol 1293.22
    N,N-dimethylaniline 560.48
    acrylonitrile 2038.8
    aniline 1166.07
    1,3-propanediol 2632.42
    bromobenzene 1171.81
    dibromomethane 3357.34
    1,1,2,2-tetrachloroethane 2941.87
    2-methyl-cyclohexyl acetate 1120.85
    tetrabutyl urea 636.7
    diisobutyl methanol 1554.9
    2-phenylethanol 1189.77
    styrene 736.04
    dioctyl adipate 742.08
    dimethyl sulfate 300.25
    ethyl butyrate 2017.21
    methyl lactate 486.38
    butyl lactate 1049.51
    diethyl carbonate 893.02
    propanediol butyl ether 1524.02
    triethyl orthoformate 1318.84
    p-tert-butyltoluene 604.11
    methyl 4-tert-butylbenzoate 661.66
    morpholine 5310.47
    tert-butylamine 5929.63
    n-dodecanol 717.18
    dimethoxymethane 1364.67
    ethylene carbonate 1168.42
    cyrene 564.76
    2-ethoxyethyl acetate 1108.61
    2-ethylhexyl acetate 2279.08
    1,2,4-trichlorobenzene 874.84
    4-methylpyridine 2299.84
    dibutyl ether 2770.37
    2,6-dimethyl-4-heptanol 1554.9
    DEF 1879.57
    dimethyl isosorbide 1200.75
    tetrachloroethylene 2273.63
    eugenol 654.03
    triacetin 774.31
    span 80 1243.53
    1,4-butanediol 956.6
    1,1-dichloroethane 3505.84
    2-methyl-1-pentanol 2557.67
    methyl formate 699.07
    2-methyl-1-butanol 3871.86
    n-decane 597.01
    butyronitrile 4364.02
    3,7-dimethyl-1-octanol 1637.66
    1-chlorooctane 1219.22
    1-chlorotetradecane 431.26
    n-nonane 720.56
    undecane 394.51
    tert-butylcyclohexane 674.66
    cyclooctane 762.69
    cyclopentanol 4013.89
    tetrahydropyran 7236.4
    tert-amyl methyl ether 2243.4
    2,5,8-trioxanonane 1361.81
    1-hexene 5457.15
    2-isopropoxyethanol 1528.73
    2,2,2-trifluoroethanol 357.43
    methyl butyrate 1897.41

    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