4-Tridecen-1-yl acetate, (4E)-

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  • Identifiers

    CAS number
    72269-48-8

    Molecular formula
    C15H28O2

    SMILES
    CCCCCCCC/C=C/CCCOC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 75.24%
    Fatty 68.11%
    Waxy 65.17%
    Citrus 53.07%
    Oily 49.1%
    Floral 46.9%
    Rose 45.72%
    Fresh 42.64%
    Orange 35.99%
    Herbal 34.69%

     

    Flavor
    Waxy 53.62%
    Floral 44.74%
    Rose 39.57%
    Fruity 33.61%
    Oily 33.31%
    Fresh 32.13%
    Clean 30.44%
    Soapy 29.97%
    Fatty 25.87%
    Citrus 25.64%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    7.78 (neutral)

    Molecular weight
    240.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    295°C

    Flash point

    • 132.29 ˚C est.

  • Synonyms

    • Lycopersilure
    • 72269-48-8
    • (E)-4-Tridecen-1-yl acetate
    • (E)-4-Tridecenyl acetate
    • 4-Tridecen-1-yl acetate, (4E)-
    • trans-4-Tridecenyl acetate
    • (E)-4-Tridecen-l-yl acetate
    • Caswell No. 456DD
    • 4-Tridecen-1-ol, 1-acetate, (4E)-
    • 4-Tridecen-1-ol, acetate, (E)-
    • PKS140WBHU
    • 4-Tridecen-1-ol, acetate, (4E)-
    • EPA Pesticide Chemical Code 121902
    • DTXSID4035592
    • AI3-34338
    • (E)-1-ACETOXY-4-TRIDECENE
    • DTXCID2015592
    • TRIDECEN-1-OL ACETATE, (E)-4-
    • 4-TRIDECEN-1-OL, 1-ACETATE, (4E)
    • RefChem:527067
    • 4E-Tridecenyl acetate
    • [(E)-tridec-4-enyl] acetate
    • BRN 4245751
    • UNII-PKS140WBHU
    • E-4-Tridecen-1-yl acetate
    • (4E)-TRIDEC-4-EN-1-YL ACETATE
    • SCHEMBL499790
    • orb1986703
    • (4E)-4-Tridecenyl acetate #
    • CHEMBL3182001
    • (4E)-4-tridecen-1-yl acetate
    • Tox21_301764
    • LMFA07010265
    • MFCD00065441
    • 4-Tridecen-1-ol,1-acetate,(4E)-
    • AKOS040749973
    • TRANS-4-TRIDECEN-1-YL ACETATE
    • trans-4-Tridecenyl acetate, AldrichCPR
    • NCGC00255653-01
    • 4E-Tridecenyl acetate CAS 72269-48-8
    • CAS-72269-48-8
    • Q27286607
    • 72269-48-8

  • Applications

    4-Tridecen-1-yl acetate, (4E)- (CAS 72269-48-8) is used as a fragrance ingredient and odor fixative in perfumery and personal care products, contributing to scent notes and helping to retain fragrance in cosmetic formulations. It may also be employed in household products such as fabric conditioners and cleaners as a fragrance component. In industrial manufacturing, the ester can be used as a low-volatility solvent or fragrance additive for coatings, paints, and inks. Owing to its long-chain alkenyl structure, it may also be considered as a plasticizer or processing aid for specialty polymers or as a precursor for other fragrance materials. Specific applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1444.33
    methanol 1203.88
    isopropanol 1322.95
    water 0.02
    ethyl acetate 1463.28
    n-propanol 1214.25
    acetone 2051.28
    n-butanol 1120.56
    acetonitrile 793.91
    DMF 1294.47
    toluene 571.79
    isobutanol 949.08
    1,4-dioxane 2001.04
    methyl acetate 946.73
    THF 3192.2
    2-butanone 1603.39
    n-pentanol 960.11
    sec-butanol 1239.04
    n-hexane 507.74
    ethylene glycol 61.16
    NMP 1085.62
    cyclohexane 709.37
    DMSO 2108.25
    n-butyl acetate 1180.7
    n-octanol 327.63
    chloroform 2427.19
    n-propyl acetate 1260.04
    acetic acid 547.87
    dichloromethane 2408.24
    cyclohexanone 2295.89
    propylene glycol 201.85
    isopropyl acetate 1109.09
    DMAc 1211.13
    2-ethoxyethanol 1071.48
    isopentanol 1076.54
    n-heptane 187.29
    ethyl formate 519.93
    1,2-dichloroethane 1819.4
    n-hexanol 817.54
    2-methoxyethanol 1292.54
    isobutyl acetate 762.17
    tetrachloromethane 425.76
    n-pentyl acetate 770.23
    transcutol 3470.23
    n-heptanol 306.45
    ethylbenzene 364.55
    MIBK 1022.8
    2-propoxyethanol 1103.96
    tert-butanol 1748.45
    MTBE 2157.11
    2-butoxyethanol 595.65
    propionic acid 523.44
    o-xylene 380.26
    formic acid 86.93
    diethyl ether 2402.48
    m-xylene 414.29
    p-xylene 436.86
    chlorobenzene 660.41
    dimethyl carbonate 188.54
    n-octane 59.52
    formamide 155.72
    cyclopentanone 1829.7
    2-pentanone 1658.94
    anisole 635.7
    cyclopentyl methyl ether 1886.99
    gamma-butyrolactone 1411.79
    1-methoxy-2-propanol 1198.85
    pyridine 1376.79
    3-pentanone 982.91
    furfural 923.27
    n-dodecane 34.29
    diethylene glycol 449.77
    diisopropyl ether 607.71
    tert-amyl alcohol 1422.22
    acetylacetone 1227.09
    n-hexadecane 41.44
    acetophenone 554.93
    methyl propionate 832.02
    isopentyl acetate 1063.01
    trichloroethylene 2301.07
    n-nonanol 294.29
    cyclohexanol 1276.79
    benzyl alcohol 470.29
    2-ethylhexanol 590.03
    isooctanol 304.03
    dipropyl ether 1094.02
    1,2-dichlorobenzene 613.25
    ethyl lactate 323.65
    propylene carbonate 725.42
    n-methylformamide 446.94
    2-pentanol 961.08
    n-pentane 266.24
    1-propoxy-2-propanol 977.62
    1-methoxy-2-propyl acetate 920.69
    2-(2-methoxypropoxy) propanol 601.76
    mesitylene 290.51
    ε-caprolactone 1599.95
    p-cymene 208.31
    epichlorohydrin 1973.97
    1,1,1-trichloroethane 1636.01
    2-aminoethanol 290.66
    morpholine-4-carbaldehyde 1143.92
    sulfolane 1707.91
    2,2,4-trimethylpentane 116.54
    2-methyltetrahydrofuran 2815.62
    n-hexyl acetate 907.97
    isooctane 90.59
    2-(2-butoxyethoxy)ethanol 875.72
    sec-butyl acetate 889.63
    tert-butyl acetate 1205.21
    decalin 228.13
    glycerin 215.78
    diglyme 1574.72
    acrylic acid 270.66
    isopropyl myristate 313.84
    n-butyric acid 1159.75
    acetyl acetate 615.67
    di(2-ethylhexyl) phthalate 247.38
    ethyl propionate 949.83
    nitromethane 934.77
    1,2-diethoxyethane 1538.99
    benzonitrile 587.73
    trioctyl phosphate 181.95
    1-bromopropane 1664.23
    gamma-valerolactone 2007.77
    n-decanol 200.81
    triethyl phosphate 310.09
    4-methyl-2-pentanol 494.42
    propionitrile 788.12
    vinylene carbonate 545.8
    1,1,2-trichlorotrifluoroethane 1052.9
    DMS 473.99
    cumene 242.62
    2-octanol 263.01
    2-hexanone 1317.15
    octyl acetate 368.97
    limonene 439.19
    1,2-dimethoxyethane 1991.1
    ethyl orthosilicate 332.94
    tributyl phosphate 258.99
    diacetone alcohol 962.6
    N,N-dimethylaniline 432.25
    acrylonitrile 620.19
    aniline 614.34
    1,3-propanediol 506.93
    bromobenzene 780.01
    dibromomethane 1851.07
    1,1,2,2-tetrachloroethane 2250.64
    2-methyl-cyclohexyl acetate 632.71
    tetrabutyl urea 335.53
    diisobutyl methanol 331.0
    2-phenylethanol 456.88
    styrene 477.15
    dioctyl adipate 467.92
    dimethyl sulfate 326.26
    ethyl butyrate 867.39
    methyl lactate 276.89
    butyl lactate 472.6
    diethyl carbonate 448.9
    propanediol butyl ether 520.2
    triethyl orthoformate 574.86
    p-tert-butyltoluene 204.37
    methyl 4-tert-butylbenzoate 473.76
    morpholine 2887.29
    tert-butylamine 1134.96
    n-dodecanol 147.28
    dimethoxymethane 1060.41
    ethylene carbonate 546.0
    cyrene 449.94
    2-ethoxyethyl acetate 856.59
    2-ethylhexyl acetate 830.88
    1,2,4-trichlorobenzene 691.15
    4-methylpyridine 1315.39
    dibutyl ether 944.92
    2,6-dimethyl-4-heptanol 331.0
    DEF 1393.65
    dimethyl isosorbide 963.6
    tetrachloroethylene 1420.06
    eugenol 413.49
    triacetin 718.79
    span 80 575.5
    1,4-butanediol 213.7
    1,1-dichloroethane 1899.95
    2-methyl-1-pentanol 832.05
    methyl formate 245.71
    2-methyl-1-butanol 989.68
    n-decane 73.99
    butyronitrile 1085.02
    3,7-dimethyl-1-octanol 390.43
    1-chlorooctane 339.51
    1-chlorotetradecane 104.33
    n-nonane 80.42
    undecane 47.38
    tert-butylcyclohexane 179.47
    cyclooctane 169.78
    cyclopentanol 1088.08
    tetrahydropyran 3508.31
    tert-amyl methyl ether 1359.43
    2,5,8-trioxanonane 1009.3
    1-hexene 1310.69
    2-isopropoxyethanol 865.16
    2,2,2-trifluoroethanol 117.31
    methyl butyrate 1277.54

    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