Decanoic acid, 2-octyl-

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  • Identifiers

    CAS number
    619-39-6

    Molecular formula
    C18H36O2

    SMILES
    CCCCCCCCC(CCCCCCCC)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Waxy 68.44%
    Fatty 60.94%
    Oily 49.05%
    Citrus 34.04%
    Woody 33.19%
    Milky 28.45%
    Dairy 27.94%
    Herbal 27.65%
    Fresh 26.99%
    Odorless 26.3%

     

    Flavor
    Fatty 47.45%
    Waxy 43.66%
    Mild 38.62%
    Bland 34.03%
    Faint 31.39%
    Fat 31.12%
    Odorless 30.32%
    Oily 29.04%
    Slightly waxy 25.31%
    Bay oil 23.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    6.84 (neutral)

    Molecular weight
    284.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    359°C

    Flash point

    • 171.82 ˚C est.

  • Synonyms

    • 2-Octyldecanoic acid
    • Decanoic acid, 2-octyl-
    • EINECS 210-594-5
    • DTXSID2060701
    • RefChem:131194
    • DTXCID6043173
    • 210-594-5
    • 619-39-6
    • MFCD00506623
    • 2-Octydecanoic acid
    • 2-octyl-decanoic acid
    • SCHEMBL987456
    • orb1986155
    • SCHEMBL28466819
    • AAA61939
    • AKOS024274097
    • AS-76909
    • BP-26118
    • ST002892
    • DB-104786
    • CS-0237592
    • NS00034858
    • D93529
    • EN300-18560185
    • F655008
    • Z3243663026
    • 619-39-6

  • Applications

    Decanoic acid, 2-octyl-, CAS 619-39-6 is used primarily as a synthesis intermediate for esters in fragrance and cosmetic formulations; it may also function as a specialty lubricant additive or a base oil for industrial lubricants. Its long-chain fatty structure enables use as a plasticizer or processing aid for polymers and coatings, improving flexibility and processability. It can serve as a precursor for surfactants or additives used in coatings, inks, and cleaning formulations. Overall, its role is as a building block for ester production and as a functional additive in polymers, coatings, and related formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 749.48
    methanol 496.85
    isopropanol 1050.01
    water 0.02
    ethyl acetate 1554.61
    n-propanol 862.87
    acetone 1356.14
    n-butanol 883.6
    acetonitrile 377.51
    DMF 2111.51
    toluene 543.73
    isobutanol 864.66
    1,4-dioxane 1243.37
    methyl acetate 875.46
    THF 3663.03
    2-butanone 1611.58
    n-pentanol 610.75
    sec-butanol 993.26
    n-hexane 395.12
    ethylene glycol 23.96
    NMP 2688.62
    cyclohexane 795.51
    DMSO 1903.31
    n-butyl acetate 1992.16
    n-octanol 439.24
    chloroform 1845.57
    n-propyl acetate 1664.47
    acetic acid 357.84
    dichloromethane 1932.46
    cyclohexanone 3557.72
    propylene glycol 117.11
    isopropyl acetate 1526.59
    DMAc 2024.76
    2-ethoxyethanol 801.58
    isopentanol 1043.0
    n-heptane 220.24
    ethyl formate 583.92
    1,2-dichloroethane 2013.93
    n-hexanol 657.14
    2-methoxyethanol 999.07
    isobutyl acetate 1094.2
    tetrachloromethane 552.82
    n-pentyl acetate 1792.09
    transcutol 3079.97
    n-heptanol 465.78
    ethylbenzene 377.83
    MIBK 1388.92
    2-propoxyethanol 1069.4
    tert-butanol 1511.1
    MTBE 2132.46
    2-butoxyethanol 971.05
    propionic acid 577.48
    o-xylene 457.58
    formic acid 55.78
    diethyl ether 1619.65
    m-xylene 458.89
    p-xylene 557.7
    chlorobenzene 879.29
    dimethyl carbonate 275.57
    n-octane 89.72
    formamide 149.63
    cyclopentanone 3317.69
    2-pentanone 1773.85
    anisole 704.6
    cyclopentyl methyl ether 2191.42
    gamma-butyrolactone 2653.68
    1-methoxy-2-propanol 1214.23
    pyridine 1416.04
    3-pentanone 1269.48
    furfural 1505.8
    n-dodecane 42.53
    diethylene glycol 341.8
    diisopropyl ether 725.29
    tert-amyl alcohol 1330.4
    acetylacetone 1493.71
    n-hexadecane 53.29
    acetophenone 809.81
    methyl propionate 1093.6
    isopentyl acetate 1915.59
    trichloroethylene 2813.24
    n-nonanol 409.12
    cyclohexanol 1342.33
    benzyl alcohol 440.5
    2-ethylhexanol 630.19
    isooctanol 494.06
    dipropyl ether 1304.69
    1,2-dichlorobenzene 933.73
    ethyl lactate 435.09
    propylene carbonate 1446.42
    n-methylformamide 623.32
    2-pentanol 906.96
    n-pentane 245.1
    1-propoxy-2-propanol 1238.16
    1-methoxy-2-propyl acetate 1420.63
    2-(2-methoxypropoxy) propanol 644.7
    mesitylene 362.76
    ε-caprolactone 2624.24
    p-cymene 305.25
    epichlorohydrin 2628.43
    1,1,1-trichloroethane 1973.89
    2-aminoethanol 167.19
    morpholine-4-carbaldehyde 1785.45
    sulfolane 3812.16
    2,2,4-trimethylpentane 150.89
    2-methyltetrahydrofuran 2889.38
    n-hexyl acetate 1571.9
    isooctane 116.06
    2-(2-butoxyethoxy)ethanol 1007.74
    sec-butyl acetate 1339.64
    tert-butyl acetate 1904.87
    decalin 233.94
    glycerin 140.83
    diglyme 2067.72
    acrylic acid 287.35
    isopropyl myristate 517.94
    n-butyric acid 1415.87
    acetyl acetate 685.85
    di(2-ethylhexyl) phthalate 338.87
    ethyl propionate 1317.77
    nitromethane 867.89
    1,2-diethoxyethane 1769.37
    benzonitrile 648.2
    trioctyl phosphate 293.55
    1-bromopropane 1447.5
    gamma-valerolactone 3299.5
    n-decanol 266.89
    triethyl phosphate 482.54
    4-methyl-2-pentanol 606.21
    propionitrile 617.37
    vinylene carbonate 927.12
    1,1,2-trichlorotrifluoroethane 1278.97
    DMS 744.1
    cumene 291.63
    2-octanol 456.64
    2-hexanone 1410.25
    octyl acetate 607.44
    limonene 623.2
    1,2-dimethoxyethane 1785.84
    ethyl orthosilicate 505.69
    tributyl phosphate 400.83
    diacetone alcohol 1450.83
    N,N-dimethylaniline 534.96
    acrylonitrile 530.99
    aniline 585.92
    1,3-propanediol 418.85
    bromobenzene 994.39
    dibromomethane 1466.0
    1,1,2,2-tetrachloroethane 2776.55
    2-methyl-cyclohexyl acetate 998.51
    tetrabutyl urea 564.16
    diisobutyl methanol 459.98
    2-phenylethanol 496.83
    styrene 456.64
    dioctyl adipate 698.25
    dimethyl sulfate 643.48
    ethyl butyrate 1394.71
    methyl lactate 376.31
    butyl lactate 932.3
    diethyl carbonate 648.67
    propanediol butyl ether 677.45
    triethyl orthoformate 954.27
    p-tert-butyltoluene 309.79
    methyl 4-tert-butylbenzoate 861.65
    morpholine 2176.09
    tert-butylamine 1094.19
    n-dodecanol 191.15
    dimethoxymethane 1134.85
    ethylene carbonate 951.04
    cyrene 582.15
    2-ethoxyethyl acetate 1504.72
    2-ethylhexyl acetate 1529.28
    1,2,4-trichlorobenzene 1041.05
    4-methylpyridine 1530.34
    dibutyl ether 1187.5
    2,6-dimethyl-4-heptanol 459.98
    DEF 2156.91
    dimethyl isosorbide 1378.24
    tetrachloroethylene 1656.16
    eugenol 629.2
    triacetin 1079.14
    span 80 667.22
    1,4-butanediol 153.96
    1,1-dichloroethane 1757.74
    2-methyl-1-pentanol 664.53
    methyl formate 318.88
    2-methyl-1-butanol 882.15
    n-decane 103.53
    butyronitrile 902.03
    3,7-dimethyl-1-octanol 532.25
    1-chlorooctane 518.32
    1-chlorotetradecane 149.55
    n-nonane 107.45
    undecane 60.95
    tert-butylcyclohexane 198.16
    cyclooctane 187.44
    cyclopentanol 1290.05
    tetrahydropyran 2882.67
    tert-amyl methyl ether 1458.39
    2,5,8-trioxanonane 1072.81
    1-hexene 871.21
    2-isopropoxyethanol 769.33
    2,2,2-trifluoroethanol 144.92
    methyl butyrate 1859.75

    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