Tridecyl acetate

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  • Identifiers

    CAS number
    1072-33-9

    Molecular formula
    C15H30O2

    SMILES
    CCCCCCCCCCCCCOC(=O)C

  • Odor profile

    Waxy 72.73%
    Fruity 65.96%
    Fatty 65.13%
    Oily 57.57%
    Sweet 51.67%
    Citrus 45.9%
    Floral 45.2%
    Fresh 44.71%
    Rose 41.41%
    Clean 41.27%

    Scent© AI

  • Properties

    XLogP3-AA
    6.1

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    300°C

    Flash point est.
    127.76 ˚C

  • Synonyms

    • TRIDECYL ACETATE
    • 1072-33-9
    • Acetic Acid Tridecyl Ester
    • TRIDECYLACETATE
    • 1-Tridecanol, acetate
    • Acetic acid, tridecyl ester
    • Tridecanyl acetate
    • BRN 1773872
    • AI3-35251
    • n-Tridecyl acetate
    • 1-Tridecyl acetate
    • MFCD00056197
    • Acetic acid n-trydecyl ester
    • SCHEMBL157239
    • CHEMBL2228461
    • DTXSID90147938
    • CHEBI:196021
    • LMFA07010282
    • HY-W150928
    • DB-040743
    • A1452
    • CS-0207398
    • NS00113580
    • D88438
    • Q67880144

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 633.6
    methanol 523.25
    isopropanol 852.2
    water 0.01
    ethyl acetate 1622.57
    n-propanol 714.5
    acetone 1576.66
    n-butanol 741.75
    acetonitrile 621.57
    DMF 1450.88
    toluene 628.74
    isobutanol 710.72
    1,4-dioxane 1637.11
    methyl acetate 967.49
    THF 3235.73
    2-butanone 1579.82
    n-pentanol 583.74
    sec-butanol 831.1
    n-hexane 529.03
    ethylene glycol 30.57
    NMP 1722.81
    cyclohexane 1054.33
    DMSO 1794.1
    n-butyl acetate 1595.18
    n-octanol 356.62
    chloroform 3071.2
    n-propyl acetate 1618.33
    acetic acid 433.9
    dichloromethane 2916.55
    cyclohexanone 3249.82
    propylene glycol 110.46
    isopropyl acetate 1337.23
    DMAc 1455.09
    2-ethoxyethanol 780.29
    isopentanol 878.35
    n-heptane 291.85
    ethyl formate 616.29
    1,2-dichloroethane 2214.2
    n-hexanol 594.82
    2-methoxyethanol 952.91
    isobutyl acetate 1016.64
    tetrachloromethane 697.99
    n-pentyl acetate 1245.71
    transcutol 2721.5
    n-heptanol 318.0
    ethylbenzene 459.25
    MIBK 1184.14
    2-propoxyethanol 888.8
    tert-butanol 1340.81
    MTBE 1916.44
    2-butoxyethanol 648.96
    propionic acid 550.43
    o-xylene 487.05
    formic acid 61.87
    diethyl ether 1745.18
    m-xylene 477.77
    p-xylene 627.94
    chlorobenzene 919.7
    dimethyl carbonate 214.17
    n-octane 96.95
    formamide 132.99
    cyclopentanone 2710.83
    2-pentanone 1654.72
    anisole 744.47
    cyclopentyl methyl ether 2200.36
    gamma-butyrolactone 2254.6
    1-methoxy-2-propanol 1011.8
    pyridine 1606.67
    3-pentanone 1128.94
    furfural 1443.76
    n-dodecane 48.65
    diethylene glycol 328.86
    diisopropyl ether 647.38
    tert-amyl alcohol 1168.26
    acetylacetone 1508.89
    n-hexadecane 61.57
    acetophenone 767.31
    methyl propionate 959.47
    isopentyl acetate 1438.66
    trichloroethylene 3093.86
    n-nonanol 338.13
    cyclohexanol 1329.63
    benzyl alcohol 475.58
    2-ethylhexanol 608.2
    isooctanol 351.49
    dipropyl ether 1406.88
    1,2-dichlorobenzene 965.74
    ethyl lactate 408.62
    propylene carbonate 1200.36
    n-methylformamide 490.08
    2-pentanol 719.68
    n-pentane 256.85
    1-propoxy-2-propanol 981.97
    1-methoxy-2-propyl acetate 1124.64
    2-(2-methoxypropoxy) propanol 591.39
    mesitylene 372.23
    ε-caprolactone 2323.42
    p-cymene 314.48
    epichlorohydrin 2424.64
    1,1,1-trichloroethane 2452.79
    2-aminoethanol 153.22
    morpholine-4-carbaldehyde 1485.42
    sulfolane 2832.5
    2,2,4-trimethylpentane 131.93
    2-methyltetrahydrofuran 2965.69
    n-hexyl acetate 1320.05
    isooctane 97.76
    2-(2-butoxyethoxy)ethanol 830.43
    sec-butyl acetate 1247.0
    tert-butyl acetate 1582.87
    decalin 319.03
    glycerin 146.34
    diglyme 1690.55
    acrylic acid 288.83
    isopropyl myristate 457.06
    n-butyric acid 1299.28
    acetyl acetate 794.22
    di(2-ethylhexyl) phthalate 297.98
    ethyl propionate 1320.95
    nitromethane 1004.66
    1,2-diethoxyethane 1522.46
    benzonitrile 767.7
    trioctyl phosphate 245.06
    1-bromopropane 1790.61
    gamma-valerolactone 2811.95
    n-decanol 222.25
    triethyl phosphate 486.36
    4-methyl-2-pentanol 467.17
    propionitrile 795.55
    vinylene carbonate 849.99
    1,1,2-trichlorotrifluoroethane 1347.61
    DMS 631.84
    cumene 320.86
    2-octanol 317.43
    2-hexanone 1491.18
    octyl acetate 518.78
    limonene 655.58
    1,2-dimethoxyethane 2030.83
    ethyl orthosilicate 493.67
    tributyl phosphate 355.64
    diacetone alcohol 1142.51
    N,N-dimethylaniline 522.48
    acrylonitrile 707.77
    aniline 616.24
    1,3-propanediol 336.67
    bromobenzene 1143.07
    dibromomethane 2246.62
    1,1,2,2-tetrachloroethane 3193.47
    2-methyl-cyclohexyl acetate 910.93
    tetrabutyl urea 484.46
    diisobutyl methanol 404.3
    2-phenylethanol 460.66
    styrene 575.57
    dioctyl adipate 651.15
    dimethyl sulfate 450.24
    ethyl butyrate 1358.16
    methyl lactate 301.71
    butyl lactate 678.53
    diethyl carbonate 681.82
    propanediol butyl ether 499.61
    triethyl orthoformate 894.23
    p-tert-butyltoluene 299.05
    methyl 4-tert-butylbenzoate 657.16
    morpholine 2355.85
    tert-butylamine 975.26
    n-dodecanol 163.69
    dimethoxymethane 905.84
    ethylene carbonate 897.07
    cyrene 526.91
    2-ethoxyethyl acetate 1096.92
    2-ethylhexyl acetate 1185.98
    1,2,4-trichlorobenzene 1062.75
    4-methylpyridine 1547.1
    dibutyl ether 1239.68
    2,6-dimethyl-4-heptanol 404.3
    DEF 1750.06
    dimethyl isosorbide 1193.5
    tetrachloroethylene 2009.78
    eugenol 499.72
    triacetin 979.16
    span 80 646.56
    1,4-butanediol 136.41
    1,1-dichloroethane 2295.93
    2-methyl-1-pentanol 619.44
    methyl formate 282.29
    2-methyl-1-butanol 760.41
    n-decane 116.98
    butyronitrile 1051.3
    3,7-dimethyl-1-octanol 437.59
    1-chlorooctane 487.8
    1-chlorotetradecane 154.59
    n-nonane 127.54
    undecane 69.22
    tert-butylcyclohexane 243.88
    cyclooctane 245.73
    cyclopentanol 1231.01
    tetrahydropyran 3238.1
    tert-amyl methyl ether 1355.86
    2,5,8-trioxanonane 1020.4
    1-hexene 1124.04
    2-isopropoxyethanol 733.63
    2,2,2-trifluoroethanol 142.79
    methyl butyrate 1831.06

    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

Botanical

Name CAS Botanical Proportion
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.15%