Acetic acid, isotridecyl ester

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  • Identifiers

    CAS number
    69103-23-7

    Molecular formula
    C15H30O2

    SMILES
    CC(C)CCCCCCCCCCOC(=O)C

  • Odor profile

    Fragrance
    Waxy 66.07%
    Fruity 58.73%
    Sweet 58.22%
    Floral 55.46%
    Fresh 53.64%
    Oily 49.2%
    Fatty 47.19%
    Rose 47.15%
    Citrus 45.99%
    Clean 40.13%

     

    Flavor
    Waxy 62.69%
    Floral 49.1%
    Oily 47.52%
    Soapy 42.02%
    Rose 38.68%
    Clean 37.13%
    Fresh 35.57%
    Fruity 33.69%
    Mild 33.41%
    Fatty 31.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    7.88 (neutral)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    290°C

    Flash point

    • 124.64 ˚C est.

  • Synonyms

    • Acetic acid, isotridecyl ester
    • 69103-23-7
    • 11-methyldodecyl acetate
    • Isotridecyl acetate
    • ISO-TRIDECYL-ACETATE
    • EINECS 273-872-5
    • DTXSID6071956
    • DTXCID8046456
    • HBNFJAUKNDPDBF-UHFFFAOYSA-N
    • DB-255066
    • NS00012776

  • Applications

    Acetic acid isotridecyl ester (CAS 69103-23-7) is commonly used as a plasticizer and processing solvent for polymers and coatings, improving flexibility in PVC and cellulose-based resins and aiding applications in paints, varnishes, and sealants; it also serves as a formulation solvent and component in coatings, inks, and adhesives; in cosmetics and personal care it may function as an emollient and solvent, helping dissolve and blend other ingredients; in fragrance and perfumery it can be used as a fragrance ingredient or solvent, contributing to scent dissolution and longevity; in industrial manufacturing and consumer products it can act as a solvent or processing aid, and as an intermediate or solubilizer for chemical synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1431.31
    methanol 978.05
    isopropanol 1693.02
    water 0.02
    ethyl acetate 2266.78
    n-propanol 1343.39
    acetone 2418.68
    n-butanol 1337.97
    acetonitrile 858.65
    DMF 1472.26
    toluene 734.03
    isobutanol 1227.37
    1,4-dioxane 2260.56
    methyl acetate 1265.1
    THF 4437.48
    2-butanone 2187.55
    n-pentanol 1023.5
    sec-butanol 1503.36
    n-hexane 715.96
    ethylene glycol 44.75
    NMP 1493.02
    cyclohexane 1049.46
    DMSO 1786.23
    n-butyl acetate 1904.18
    n-octanol 469.58
    chloroform 3336.82
    n-propyl acetate 1887.38
    acetic acid 586.16
    dichloromethane 3025.02
    cyclohexanone 3612.91
    propylene glycol 187.05
    isopropyl acetate 1745.2
    DMAc 1457.32
    2-ethoxyethanol 1200.42
    isopentanol 1458.45
    n-heptane 289.59
    ethyl formate 785.6
    1,2-dichloroethane 2296.06
    n-hexanol 987.46
    2-methoxyethanol 1481.47
    isobutyl acetate 1218.7
    tetrachloromethane 685.01
    n-pentyl acetate 1275.05
    transcutol 3898.12
    n-heptanol 445.94
    ethylbenzene 517.31
    MIBK 1508.87
    2-propoxyethanol 1375.13
    tert-butanol 2369.18
    MTBE 3090.67
    2-butoxyethanol 849.61
    propionic acid 675.49
    o-xylene 521.07
    formic acid 77.0
    diethyl ether 2673.26
    m-xylene 571.25
    p-xylene 662.98
    chlorobenzene 979.74
    dimethyl carbonate 219.86
    n-octane 100.04
    formamide 143.54
    cyclopentanone 2715.61
    2-pentanone 2194.94
    anisole 854.74
    cyclopentyl methyl ether 2738.78
    gamma-butyrolactone 2166.69
    1-methoxy-2-propanol 1568.7
    pyridine 1655.94
    3-pentanone 1320.04
    furfural 1427.91
    n-dodecane 50.65
    diethylene glycol 489.16
    diisopropyl ether 892.21
    tert-amyl alcohol 1908.58
    acetylacetone 1778.59
    n-hexadecane 63.87
    acetophenone 787.35
    methyl propionate 1143.76
    isopentyl acetate 1820.23
    trichloroethylene 3146.34
    n-nonanol 431.2
    cyclohexanol 1817.17
    benzyl alcohol 584.51
    2-ethylhexanol 834.67
    isooctanol 460.87
    dipropyl ether 1593.44
    1,2-dichlorobenzene 936.66
    ethyl lactate 476.12
    propylene carbonate 1253.88
    n-methylformamide 536.74
    2-pentanol 1208.78
    n-pentane 325.81
    1-propoxy-2-propanol 1381.09
    1-methoxy-2-propyl acetate 1430.57
    2-(2-methoxypropoxy) propanol 761.52
    mesitylene 423.37
    ε-caprolactone 2539.11
    p-cymene 339.95
    epichlorohydrin 2786.01
    1,1,1-trichloroethane 2572.53
    2-aminoethanol 244.81
    morpholine-4-carbaldehyde 1619.6
    sulfolane 2528.84
    2,2,4-trimethylpentane 166.16
    2-methyltetrahydrofuran 4017.14
    n-hexyl acetate 1491.43
    isooctane 133.21
    2-(2-butoxyethoxy)ethanol 1075.14
    sec-butyl acetate 1472.02
    tert-butyl acetate 2030.67
    decalin 331.51
    glycerin 198.43
    diglyme 2111.58
    acrylic acid 329.77
    isopropyl myristate 504.18
    n-butyric acid 1738.03
    acetyl acetate 985.24
    di(2-ethylhexyl) phthalate 341.85
    ethyl propionate 1464.97
    nitromethane 1136.15
    1,2-diethoxyethane 2005.76
    benzonitrile 841.51
    trioctyl phosphate 271.28
    1-bromopropane 2097.44
    gamma-valerolactone 3239.88
    n-decanol 289.72
    triethyl phosphate 476.59
    4-methyl-2-pentanol 721.32
    propionitrile 1009.86
    vinylene carbonate 872.81
    1,1,2-trichlorotrifluoroethane 1445.41
    DMS 657.42
    cumene 362.0
    2-octanol 405.32
    2-hexanone 1909.56
    octyl acetate 568.66
    limonene 703.16
    1,2-dimethoxyethane 2656.15
    ethyl orthosilicate 509.7
    tributyl phosphate 385.33
    diacetone alcohol 1483.86
    N,N-dimethylaniline 577.0
    acrylonitrile 782.11
    aniline 755.0
    1,3-propanediol 561.46
    bromobenzene 1148.29
    dibromomethane 2384.7
    1,1,2,2-tetrachloroethane 3197.77
    2-methyl-cyclohexyl acetate 1018.91
    tetrabutyl urea 492.71
    diisobutyl methanol 520.37
    2-phenylethanol 596.98
    styrene 623.75
    dioctyl adipate 689.08
    dimethyl sulfate 395.29
    ethyl butyrate 1454.77
    methyl lactate 353.75
    butyl lactate 741.48
    diethyl carbonate 708.2
    propanediol butyl ether 664.9
    triethyl orthoformate 970.61
    p-tert-butyltoluene 330.07
    methyl 4-tert-butylbenzoate 691.11
    morpholine 3470.15
    tert-butylamine 1594.41
    n-dodecanol 207.94
    dimethoxymethane 1144.01
    ethylene carbonate 932.73
    cyrene 599.18
    2-ethoxyethyl acetate 1262.32
    2-ethylhexyl acetate 1417.73
    1,2,4-trichlorobenzene 1055.69
    4-methylpyridine 1794.79
    dibutyl ether 1426.88
    2,6-dimethyl-4-heptanol 520.37
    DEF 1930.42
    dimethyl isosorbide 1353.93
    tetrachloroethylene 1950.25
    eugenol 560.32
    triacetin 1040.2
    span 80 780.02
    1,4-butanediol 213.27
    1,1-dichloroethane 2776.04
    2-methyl-1-pentanol 979.88
    methyl formate 302.49
    2-methyl-1-butanol 1246.14
    n-decane 121.95
    butyronitrile 1455.71
    3,7-dimethyl-1-octanol 601.4
    1-chlorooctane 521.41
    1-chlorotetradecane 161.02
    n-nonane 133.39
    undecane 73.42
    tert-butylcyclohexane 280.36
    cyclooctane 245.64
    cyclopentanol 1622.2
    tetrahydropyran 4557.1
    tert-amyl methyl ether 1891.22
    2,5,8-trioxanonane 1225.66
    1-hexene 1692.75
    2-isopropoxyethanol 1098.48
    2,2,2-trifluoroethanol 152.09
    methyl butyrate 1971.74

    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