2-Octyldodecyl 3,5,5-trimethylhexanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    98072-02-7

    Molecular formula
    C29H58O2

    SMILES
    CCCCCCCCCCC(CCCCCCCC)COC(=O)CC(C)CC(C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 67.7%
    Oily 50.75%
    Fatty 50.26%
    Woody 36.05%
    Floral 28.68%
    Odorless 27.66%
    Balsamic 27.1%
    Fruity 25.18%
    Amber 21.75%
    Green 21.29%

     

    Flavor
    Mild 39.76%
    Waxy 38.1%
    Oily 35.68%
    Bland 33.89%
    Faint 26.94%
    Fatty 24.56%
    Delicate 24.01%
    Slightly waxy 23.48%
    Beer 22.46%
    Bay oil 22.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.7

    pKa est.
    7.49 (neutral)

    Molecular weight
    438.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    446°C

    Flash point

    • 186.87 ˚C est.

  • Synonyms

    • 2-Octyldodecyl 3,5,5-trimethylhexanoate
    • 98072-02-7
    • EINECS 308-452-3
    • DTXSID70913476
    • RefChem:88873
    • DTXCID501342480
    • 308-452-3
    • SCHEMBL13571546
    • ORHIPTVQARSOPI-UHFFFAOYSA-N
    • NS00065752
    • 98072-02-7

  • Applications

    2-Octyldodecyl 3,5,5-trimethylhexanoate (CAS 98072-02-7) is a lipophilic ester commonly used in cosmetics and personal care as an emollient and fragrance ingredient, where it can serve as a carrier medium and, in perfumery, as a fixative to help fragrance notes persist on skin or fabric. It is also employed in household products as a fragrance carrier and solvent to solubilize aroma compounds. In some formulations, it may act as a processing aid or plasticizer in polymers, coatings, or inks to improve texture and compatibility. Its use is formulation-dependent and subject to local regulations and labeling requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 468.88
    methanol 364.24
    isopropanol 500.27
    water 0.62
    ethyl acetate 2875.67
    n-propanol 635.0
    acetone 1721.1
    n-butanol 707.86
    acetonitrile 491.77
    DMF 1758.65
    toluene 1312.09
    isobutanol 703.86
    1,4-dioxane 1920.06
    methyl acetate 1533.95
    THF 4306.06
    2-butanone 1985.94
    n-pentanol 498.55
    sec-butanol 775.11
    n-hexane 392.8
    ethylene glycol 27.83
    NMP 4155.93
    cyclohexane 1320.44
    DMSO 1179.37
    n-butyl acetate 2482.04
    n-octanol 672.75
    chloroform 4643.73
    n-propyl acetate 2240.15
    acetic acid 943.42
    dichloromethane 4526.55
    cyclohexanone 5057.63
    propylene glycol 95.67
    isopropyl acetate 2864.75
    DMAc 3128.36
    2-ethoxyethanol 755.07
    isopentanol 897.19
    n-heptane 387.91
    ethyl formate 954.45
    1,2-dichloroethane 3386.01
    n-hexanol 572.39
    2-methoxyethanol 865.0
    isobutyl acetate 1880.01
    tetrachloromethane 1317.01
    n-pentyl acetate 3341.97
    transcutol 3927.16
    n-heptanol 660.71
    ethylbenzene 752.09
    MIBK 2230.98
    2-propoxyethanol 1034.16
    tert-butanol 858.09
    MTBE 1973.38
    2-butoxyethanol 1335.08
    propionic acid 911.91
    o-xylene 1107.0
    formic acid 164.54
    diethyl ether 1681.33
    m-xylene 1028.81
    p-xylene 1126.21
    chlorobenzene 1747.18
    dimethyl carbonate 715.49
    n-octane 180.36
    formamide 297.12
    cyclopentanone 4409.65
    2-pentanone 2390.43
    anisole 1143.4
    cyclopentyl methyl ether 3751.4
    gamma-butyrolactone 4069.65
    1-methoxy-2-propanol 1112.1
    pyridine 1908.45
    3-pentanone 2097.59
    furfural 2172.16
    n-dodecane 81.62
    diethylene glycol 337.8
    diisopropyl ether 1072.85
    tert-amyl alcohol 1193.96
    acetylacetone 2968.07
    n-hexadecane 101.87
    acetophenone 1543.81
    methyl propionate 1977.27
    isopentyl acetate 2857.96
    trichloroethylene 5376.73
    n-nonanol 689.01
    cyclohexanol 1713.49
    benzyl alcohol 632.12
    2-ethylhexanol 762.52
    isooctanol 792.49
    dipropyl ether 1593.38
    1,2-dichlorobenzene 1904.82
    ethyl lactate 669.15
    propylene carbonate 2696.16
    n-methylformamide 705.97
    2-pentanol 747.84
    n-pentane 315.09
    1-propoxy-2-propanol 1286.68
    1-methoxy-2-propyl acetate 2597.96
    2-(2-methoxypropoxy) propanol 1080.84
    mesitylene 812.28
    ε-caprolactone 4777.75
    p-cymene 658.42
    epichlorohydrin 4036.7
    1,1,1-trichloroethane 4431.24
    2-aminoethanol 142.31
    morpholine-4-carbaldehyde 2759.29
    sulfolane 5258.25
    2,2,4-trimethylpentane 356.14
    2-methyltetrahydrofuran 4125.8
    n-hexyl acetate 3257.63
    isooctane 206.07
    2-(2-butoxyethoxy)ethanol 1450.39
    sec-butyl acetate 2178.34
    tert-butyl acetate 3861.04
    decalin 478.65
    glycerin 145.7
    diglyme 3400.27
    acrylic acid 524.71
    isopropyl myristate 1014.33
    n-butyric acid 2199.39
    acetyl acetate 1843.37
    di(2-ethylhexyl) phthalate 652.08
    ethyl propionate 2110.37
    nitromethane 1711.47
    1,2-diethoxyethane 2169.47
    benzonitrile 938.52
    trioctyl phosphate 557.71
    1-bromopropane 2167.82
    gamma-valerolactone 5143.67
    n-decanol 422.29
    triethyl phosphate 1004.41
    4-methyl-2-pentanol 642.49
    propionitrile 667.94
    vinylene carbonate 1842.06
    1,1,2-trichlorotrifluoroethane 2119.8
    DMS 1713.42
    cumene 571.7
    2-octanol 666.73
    2-hexanone 1799.88
    octyl acetate 1230.61
    limonene 1363.79
    1,2-dimethoxyethane 1777.7
    ethyl orthosilicate 1049.19
    tributyl phosphate 755.85
    diacetone alcohol 2173.62
    N,N-dimethylaniline 897.87
    acrylonitrile 579.47
    aniline 917.91
    1,3-propanediol 344.95
    bromobenzene 2145.54
    dibromomethane 2998.06
    1,1,2,2-tetrachloroethane 4738.64
    2-methyl-cyclohexyl acetate 1865.97
    tetrabutyl urea 1038.74
    diisobutyl methanol 597.07
    2-phenylethanol 666.47
    styrene 820.14
    dioctyl adipate 1391.04
    dimethyl sulfate 1381.87
    ethyl butyrate 2282.49
    methyl lactate 673.78
    butyl lactate 1652.18
    diethyl carbonate 1165.23
    propanediol butyl ether 873.47
    triethyl orthoformate 1737.31
    p-tert-butyltoluene 643.9
    methyl 4-tert-butylbenzoate 1905.09
    morpholine 2612.66
    tert-butylamine 687.1
    n-dodecanol 287.95
    dimethoxymethane 1544.03
    ethylene carbonate 2003.12
    cyrene 927.32
    2-ethoxyethyl acetate 2976.37
    2-ethylhexyl acetate 2548.97
    1,2,4-trichlorobenzene 2317.11
    4-methylpyridine 2398.68
    dibutyl ether 1700.77
    2,6-dimethyl-4-heptanol 597.07
    DEF 2983.07
    dimethyl isosorbide 2305.99
    tetrachloroethylene 3087.48
    eugenol 1100.78
    triacetin 2851.3
    span 80 1133.3
    1,4-butanediol 133.12
    1,1-dichloroethane 3231.59
    2-methyl-1-pentanol 689.93
    methyl formate 540.89
    2-methyl-1-butanol 907.93
    n-decane 217.39
    butyronitrile 922.62
    3,7-dimethyl-1-octanol 839.75
    1-chlorooctane 1004.29
    1-chlorotetradecane 270.92
    n-nonane 218.13
    undecane 122.05
    tert-butylcyclohexane 385.19
    cyclooctane 452.19
    cyclopentanol 1411.17
    tetrahydropyran 3720.24
    tert-amyl methyl ether 2113.74
    2,5,8-trioxanonane 1645.53
    1-hexene 808.12
    2-isopropoxyethanol 800.54
    2,2,2-trifluoroethanol 436.66
    methyl butyrate 2678.2

    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