Dodecyl nonan-1-oate

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  • Identifiers

    CAS number
    17671-26-0

    Molecular formula
    C21H42O2

    SMILES
    CCCCCCCCCCCCOC(=O)CCCCCCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Oily 69.7%
    Fatty 69.6%
    Waxy 67.65%
    Fruity 50.18%
    Floral 36.87%
    Sweet 36.66%
    Creamy 33.68%
    Winey 32.64%
    Cognac 31.48%
    Odorless 27.94%

     

    Flavor
    Waxy 69.82%
    Fatty 53.77%
    Oily 51.62%
    Mild 44.06%
    Soapy 43.58%
    Coconut 40.19%
    Fat 37.73%
    Sweet 35.53%
    Creamy 35.0%
    Fruity 33.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.2

    pKa est.
    7.16 (neutral)

    Molecular weight
    326.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    380°C

    Flash point

    • 166.95 ˚C est.

  • Synonyms

    • Dodecyl nonan-1-oate
    • 17671-26-0
    • EINECS 241-644-4
    • Nonanoic acid, dodecyl ester
    • DTXSID40170175
    • RefChem:590307
    • DTXCID5092666
    • 241-644-4
    • dodecyl nonanoate
    • WE(12:0/9:0)
    • SCHEMBL9556148
    • SCHEMBL11259256
    • SCHEMBL11259258
    • LMFA07010453
    • NS00025811
    • 17671-26-0

  • Applications

    Dodecyl nonan-1-oate (CAS 17671-26-0) is commonly used in cosmetics and personal care as a lightweight emollient and solvent for active ingredients and fragrance components; in perfumery as a carrier for aroma compounds; in household products as a nonpolar solvent and conditioning agent; in polymers and coatings as a processing aid or plasticizer to modify texture and flexibility; and in industrial manufacturing as a formulation solvent or diluent for specialty coatings, inks, or adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 239.6
    methanol 228.13
    isopropanol 384.61
    water 0.07
    ethyl acetate 2009.6
    n-propanol 386.8
    acetone 1194.34
    n-butanol 510.78
    acetonitrile 476.72
    DMF 1455.83
    toluene 682.49
    isobutanol 450.38
    1,4-dioxane 1385.66
    methyl acetate 1048.74
    THF 3082.14
    2-butanone 1520.16
    n-pentanol 338.66
    sec-butanol 526.54
    n-hexane 242.77
    ethylene glycol 15.18
    NMP 2918.65
    cyclohexane 1249.35
    DMSO 1625.53
    n-butyl acetate 2077.31
    n-octanol 419.96
    chloroform 3493.81
    n-propyl acetate 2204.05
    acetic acid 437.81
    dichloromethane 3930.7
    cyclohexanone 4542.06
    propylene glycol 54.29
    isopropyl acetate 1851.46
    DMAc 2316.53
    2-ethoxyethanol 607.28
    isopentanol 686.29
    n-heptane 236.73
    ethyl formate 717.17
    1,2-dichloroethane 3131.58
    n-hexanol 349.83
    2-methoxyethanol 660.08
    isobutyl acetate 1336.17
    tetrachloromethane 965.76
    n-pentyl acetate 2512.06
    transcutol 3234.51
    n-heptanol 349.58
    ethylbenzene 477.48
    MIBK 1631.25
    2-propoxyethanol 673.95
    tert-butanol 728.48
    MTBE 1431.57
    2-butoxyethanol 845.64
    propionic acid 532.11
    o-xylene 623.1
    formic acid 64.95
    diethyl ether 1257.44
    m-xylene 518.58
    p-xylene 793.8
    chlorobenzene 1285.1
    dimethyl carbonate 342.27
    n-octane 104.53
    formamide 177.66
    cyclopentanone 3687.5
    2-pentanone 1867.43
    anisole 912.36
    cyclopentyl methyl ether 2304.99
    gamma-butyrolactone 3148.23
    1-methoxy-2-propanol 785.64
    pyridine 1836.61
    3-pentanone 1480.3
    furfural 1918.84
    n-dodecane 50.96
    diethylene glycol 213.4
    diisopropyl ether 661.12
    tert-amyl alcohol 849.58
    acetylacetone 2040.29
    n-hexadecane 66.25
    acetophenone 1160.84
    methyl propionate 1267.28
    isopentyl acetate 1987.07
    trichloroethylene 4585.83
    n-nonanol 414.19
    cyclohexanol 1295.09
    benzyl alcohol 467.97
    2-ethylhexanol 501.11
    isooctanol 414.8
    dipropyl ether 1263.5
    1,2-dichlorobenzene 1548.05
    ethyl lactate 507.32
    propylene carbonate 1800.54
    n-methylformamide 528.76
    2-pentanol 526.33
    n-pentane 165.02
    1-propoxy-2-propanol 880.56
    1-methoxy-2-propyl acetate 1515.11
    2-(2-methoxypropoxy) propanol 655.81
    mesitylene 433.22
    ε-caprolactone 3506.32
    p-cymene 408.95
    epichlorohydrin 3108.08
    1,1,1-trichloroethane 3325.26
    2-aminoethanol 80.89
    morpholine-4-carbaldehyde 2088.14
    sulfolane 4373.76
    2,2,4-trimethylpentane 147.46
    2-methyltetrahydrofuran 2943.03
    n-hexyl acetate 2154.59
    isooctane 87.79
    2-(2-butoxyethoxy)ethanol 963.58
    sec-butyl acetate 1698.69
    tert-butyl acetate 2201.56
    decalin 318.88
    glycerin 87.8
    diglyme 2539.13
    acrylic acid 313.05
    isopropyl myristate 646.43
    n-butyric acid 1475.24
    acetyl acetate 1136.82
    di(2-ethylhexyl) phthalate 405.28
    ethyl propionate 1833.33
    nitromethane 1239.91
    1,2-diethoxyethane 1914.63
    benzonitrile 881.53
    trioctyl phosphate 330.85
    1-bromopropane 1874.24
    gamma-valerolactone 4135.24
    n-decanol 253.47
    triethyl phosphate 716.98
    4-methyl-2-pentanol 398.6
    propionitrile 644.6
    vinylene carbonate 1341.0
    1,1,2-trichlorotrifluoroethane 1621.49
    DMS 986.45
    cumene 350.6
    2-octanol 409.3
    2-hexanone 1603.85
    octyl acetate 756.68
    limonene 877.58
    1,2-dimethoxyethane 2028.02
    ethyl orthosilicate 722.3
    tributyl phosphate 493.44
    diacetone alcohol 1446.07
    N,N-dimethylaniline 653.52
    acrylonitrile 606.21
    aniline 628.92
    1,3-propanediol 225.22
    bromobenzene 1585.85
    dibromomethane 2659.09
    1,1,2,2-tetrachloroethane 4354.88
    2-methyl-cyclohexyl acetate 1271.49
    tetrabutyl urea 738.61
    diisobutyl methanol 401.3
    2-phenylethanol 446.66
    styrene 616.51
    dioctyl adipate 931.91
    dimethyl sulfate 734.48
    ethyl butyrate 1977.01
    methyl lactate 369.57
    butyl lactate 1140.9
    diethyl carbonate 919.08
    propanediol butyl ether 588.47
    triethyl orthoformate 1326.73
    p-tert-butyltoluene 365.42
    methyl 4-tert-butylbenzoate 1138.96
    morpholine 2077.74
    tert-butylamine 539.74
    n-dodecanol 178.34
    dimethoxymethane 932.49
    ethylene carbonate 1408.28
    cyrene 657.46
    2-ethoxyethyl acetate 2096.06
    2-ethylhexyl acetate 1753.01
    1,2,4-trichlorobenzene 1682.68
    4-methylpyridine 1909.87
    dibutyl ether 1580.51
    2,6-dimethyl-4-heptanol 401.3
    DEF 2437.97
    dimethyl isosorbide 1527.28
    tetrachloroethylene 2852.24
    eugenol 752.17
    triacetin 1669.15
    span 80 717.31
    1,4-butanediol 88.95
    1,1-dichloroethane 2565.55
    2-methyl-1-pentanol 461.29
    methyl formate 346.95
    2-methyl-1-butanol 598.46
    n-decane 131.46
    butyronitrile 892.46
    3,7-dimethyl-1-octanol 496.42
    1-chlorooctane 675.47
    1-chlorotetradecane 183.49
    n-nonane 135.09
    undecane 75.05
    tert-butylcyclohexane 216.47
    cyclooctane 272.82
    cyclopentanol 1043.92
    tetrahydropyran 2910.88
    tert-amyl methyl ether 1303.96
    2,5,8-trioxanonane 1211.37
    1-hexene 560.31
    2-isopropoxyethanol 595.23
    2,2,2-trifluoroethanol 217.39
    methyl butyrate 2530.25

    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