Decan-4-ol

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  • Identifiers

    CAS number
    2051-31-2

    Molecular formula
    C10H22O

    SMILES
    CCCCCCC(CCC)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 77.85%
    Oily 74.55%
    Herbal 64.68%
    Earthy 61.58%
    Fatty 60.71%
    Fruity 60.7%
    Mushroom 56.08%
    Musty 52.93%
    Sweet 50.94%
    Floral 50.83%

     

    Flavor
    Green 58.94%
    Floral 55.95%
    Fresh 54.09%
    Mushroom 52.21%
    Herbal 51.52%
    Citrus 51.33%
    Earthy 45.6%
    Fatty 42.71%
    Orange 41.58%
    Waxy 41.46%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.92 (weak base)

    Molecular weight
    158.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    209°C

    Flash point

    • 89.96 ˚C est.

  • Synonyms

    • 4-DECANOL
    • Decan-4-ol
    • 2051-31-2
    • EINECS 218-117-2
    • AI3-19949
    • DTXSID00870927
    • NSC 2637
    • RefChem:585354
    • DTXCID60818608
    • 218-117-2
    • Hexylpropylcarbinol
    • 4-Decyl Alcohol
    • (R)-4-Decanol
    • MFCD00039627
    • 1-Propylheptyl alcohol
    • Decanol-4
    • NSC-2637
    • 4-hydroxydecane
    • 4-aDecanol
    • NSC2637
    • n-Hexyl n-propyl carbinol
    • SCHEMBL77284
    • SCHEMBL77285
    • SCHEMBL351609
    • 8EG28W5Z8K
    • orb1705240
    • SCHEMBL6440337
    • SCHEMBL10904485
    • SCHEMBL16227302
    • CHEBI:195602
    • AKOS009156586
    • EBC-616825
    • HY-W275553
    • SB85063
    • LS-13912
    • PD207007
    • SY049021
    • DB-045257
    • CS-0320716
    • D1380
    • NS00045745
    • D89845
    • F723428
    • J-927476
    • 2051-31-2

  • Applications

    Decan-4-ol (CAS 2051-31-2) is a long-chain secondary alcohol that is primarily used as an intermediate and solvent in a range of industries. In fragrance and flavor applications, it serves as a precursor for ester synthesis and can act as a solvent for fragrance components. In cosmetics and personal care, it may function as a solvent and as a building block for esters used in fragrances and as derivatives that improve texture or feel. In household products, it can serve as a solvent and coupling agent in formulations. In industrial manufacturing, it is used as a solvent for chemical processes and as an intermediate for esters, plasticizers, and lubricants. In coatings and inks, it serves as a solvent or additive to adjust viscosity and drying behavior. In polymer science, it can be employed as a processing aid or intermediate for specialty polymers. Where applicable, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23390.76
    methanol 16785.08
    isopropanol 28880.55
    water 0.14
    ethyl acetate 14499.36
    n-propanol 23293.96
    acetone 25163.26
    n-butanol 23727.27
    acetonitrile 10290.8
    DMF 9393.15
    toluene 3476.03
    isobutanol 18599.27
    1,4-dioxane 14757.39
    methyl acetate 8084.0
    THF 27338.27
    2-butanone 15539.82
    n-pentanol 13208.05
    sec-butanol 20683.43
    n-hexane 17154.49
    ethylene glycol 882.33
    NMP 5095.0
    cyclohexane 12488.61
    DMSO 12072.77
    n-butyl acetate 19602.42
    n-octanol 4774.33
    chloroform 14275.36
    n-propyl acetate 11305.86
    acetic acid 5776.0
    dichloromethane 12317.84
    cyclohexanone 18454.65
    propylene glycol 2278.88
    isopropyl acetate 9322.81
    DMAc 3949.01
    2-ethoxyethanol 7138.86
    isopentanol 18629.55
    n-heptane 8745.62
    ethyl formate 6019.86
    1,2-dichloroethane 10425.44
    n-hexanol 18725.48
    2-methoxyethanol 12126.76
    isobutyl acetate 5842.15
    tetrachloromethane 3950.26
    n-pentyl acetate 7249.4
    transcutol 15815.45
    n-heptanol 5621.81
    ethylbenzene 2220.18
    MIBK 8006.01
    2-propoxyethanol 13182.89
    tert-butanol 29067.67
    MTBE 23984.28
    2-butoxyethanol 5946.09
    propionic acid 6789.73
    o-xylene 1726.71
    formic acid 750.46
    diethyl ether 27602.66
    m-xylene 2150.92
    p-xylene 2843.16
    chlorobenzene 4042.28
    dimethyl carbonate 1006.38
    n-octane 1991.38
    formamide 1228.95
    cyclopentanone 14369.19
    2-pentanone 17422.98
    anisole 3009.59
    cyclopentyl methyl ether 14487.31
    gamma-butyrolactone 10226.69
    1-methoxy-2-propanol 10845.49
    pyridine 10054.49
    3-pentanone 8165.1
    furfural 4958.17
    n-dodecane 701.33
    diethylene glycol 3737.56
    diisopropyl ether 8288.97
    tert-amyl alcohol 17973.17
    acetylacetone 6962.56
    n-hexadecane 830.39
    acetophenone 2272.7
    methyl propionate 6615.82
    isopentyl acetate 13115.16
    trichloroethylene 11921.11
    n-nonanol 3830.36
    cyclohexanol 15760.03
    benzyl alcohol 2380.34
    2-ethylhexanol 11279.19
    isooctanol 4464.3
    dipropyl ether 22496.18
    1,2-dichlorobenzene 2747.08
    ethyl lactate 1832.72
    propylene carbonate 5056.7
    n-methylformamide 4950.81
    2-pentanol 18052.19
    n-pentane 9411.22
    1-propoxy-2-propanol 13025.7
    1-methoxy-2-propyl acetate 6456.53
    2-(2-methoxypropoxy) propanol 2337.36
    mesitylene 1556.28
    ε-caprolactone 11565.9
    p-cymene 1969.01
    epichlorohydrin 11189.54
    1,1,1-trichloroethane 9986.53
    2-aminoethanol 3575.33
    morpholine-4-carbaldehyde 5384.31
    sulfolane 8514.28
    2,2,4-trimethylpentane 1977.14
    2-methyltetrahydrofuran 23609.03
    n-hexyl acetate 7643.95
    isooctane 1995.02
    2-(2-butoxyethoxy)ethanol 4507.75
    sec-butyl acetate 6547.99
    tert-butyl acetate 8361.64
    decalin 2433.27
    glycerin 1805.1
    diglyme 8390.63
    acrylic acid 3021.89
    isopropyl myristate 2131.13
    n-butyric acid 16928.72
    acetyl acetate 3697.58
    di(2-ethylhexyl) phthalate 1104.13
    ethyl propionate 7094.83
    nitromethane 7176.96
    1,2-diethoxyethane 13676.28
    benzonitrile 4001.72
    trioctyl phosphate 1180.31
    1-bromopropane 14497.39
    gamma-valerolactone 12863.85
    n-decanol 2561.23
    triethyl phosphate 1626.1
    4-methyl-2-pentanol 7273.43
    propionitrile 11989.72
    vinylene carbonate 3437.81
    1,1,2-trichlorotrifluoroethane 5333.5
    DMS 1972.93
    cumene 1404.06
    2-octanol 4152.53
    2-hexanone 12634.98
    octyl acetate 2415.89
    limonene 4884.62
    1,2-dimethoxyethane 16048.64
    ethyl orthosilicate 2100.1
    tributyl phosphate 1586.23
    diacetone alcohol 6361.64
    N,N-dimethylaniline 1795.69
    acrylonitrile 7846.54
    aniline 4421.29
    1,3-propanediol 7243.49
    bromobenzene 4176.18
    dibromomethane 12045.75
    1,1,2,2-tetrachloroethane 10567.86
    2-methyl-cyclohexyl acetate 3822.95
    tetrabutyl urea 1875.16
    diisobutyl methanol 5244.19
    2-phenylethanol 3391.68
    styrene 2971.65
    dioctyl adipate 2170.36
    dimethyl sulfate 1244.97
    ethyl butyrate 10556.25
    methyl lactate 1664.8
    butyl lactate 3664.64
    diethyl carbonate 3638.42
    propanediol butyl ether 3898.53
    triethyl orthoformate 5408.67
    p-tert-butyltoluene 1908.79
    methyl 4-tert-butylbenzoate 1757.58
    morpholine 21004.23
    tert-butylamine 24885.57
    n-dodecanol 1833.75
    dimethoxymethane 7399.98
    ethylene carbonate 4404.4
    cyrene 1403.21
    2-ethoxyethyl acetate 5032.09
    2-ethylhexyl acetate 10040.47
    1,2,4-trichlorobenzene 2707.42
    4-methylpyridine 9835.97
    dibutyl ether 13488.45
    2,6-dimethyl-4-heptanol 5244.19
    DEF 10863.14
    dimethyl isosorbide 3344.88
    tetrachloroethylene 7875.03
    eugenol 1571.84
    triacetin 2557.79
    span 80 2991.08
    1,4-butanediol 2232.11
    1,1-dichloroethane 14383.04
    2-methyl-1-pentanol 9287.92
    methyl formate 2665.21
    2-methyl-1-butanol 15214.39
    n-decane 1671.13
    butyronitrile 18638.79
    3,7-dimethyl-1-octanol 5027.99
    1-chlorooctane 4109.47
    1-chlorotetradecane 1182.25
    n-nonane 2128.53
    undecane 1029.87
    tert-butylcyclohexane 2453.76
    cyclooctane 2930.96
    cyclopentanol 13930.5
    tetrahydropyran 32831.5
    tert-amyl methyl ether 11626.79
    2,5,8-trioxanonane 3645.9
    1-hexene 26372.53
    2-isopropoxyethanol 5673.64
    2,2,2-trifluoroethanol 915.66
    methyl butyrate 10959.6

    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