1,5-Dimethylhex-4-enyl propionate

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  • Identifiers

    CAS number
    85030-13-3

    Molecular formula
    C11H20O2

    SMILES
    CCC(=O)OC(C)CCC=C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 88.38%
    Green 79.94%
    Floral 69.09%
    Sweet 58.78%
    Tropical 53.63%
    Citrus 52.99%
    Apple 52.77%
    Rose 52.6%
    Waxy 47.23%
    Pear 44.87%

     

    Flavor
    Fruity 74.59%
    Green 66.54%
    Sweet 57.96%
    Rose 55.01%
    Floral 53.83%
    Bitter 52.58%
    Tropical 48.22%
    Fruit 42.68%
    Citrus 40.82%
    Lavender 40.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.39 (weak base)

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    206°C

    Flash point

    • 82.91 ˚C est.

  • Synonyms

    • 1,5-Dimethylhex-4-enyl propionate
    • 85030-13-3
    • EINECS 285-138-1
    • 6-methylhept-5-en-2-yl propanoate
    • QTQUCFACVUKEDR-UHFFFAOYSA-N
    • DTXSID801005394
    • NS00060832
    • 85030-13-3

  • Applications

    1,5-Dimethylhex-4-enyl propionate (CAS 85030-13-3) is used primarily as a fragrance ingredient, contributing floral or fruity notes in perfumery and cosmetics and often functioning as a mild fixative to extend scent longevity. It is also considered for use in household products such as detergents, fabric softeners, and air fresheners as an odorant component, and may appear as a scented additive in coatings and inks. Additionally, it can serve as an intermediate in fragrance synthesis, enabling the development of more complex aroma formulations for various industries. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2022.69
    methanol 1987.26
    isopropanol 2052.43
    water 1.27
    ethyl acetate 1241.15
    n-propanol 1523.72
    acetone 1549.6
    n-butanol 1654.87
    acetonitrile 1229.3
    DMF 1343.31
    toluene 702.41
    isobutanol 1456.0
    1,4-dioxane 2011.1
    methyl acetate 919.93
    THF 2345.46
    2-butanone 1206.9
    n-pentanol 1304.73
    sec-butanol 1779.71
    n-hexane 791.27
    ethylene glycol 207.17
    NMP 1444.78
    cyclohexane 636.32
    DMSO 1183.01
    n-butyl acetate 1261.41
    n-octanol 888.93
    chloroform 3790.23
    n-propyl acetate 771.76
    acetic acid 1265.94
    dichloromethane 2722.23
    cyclohexanone 1903.07
    propylene glycol 491.78
    isopropyl acetate 907.38
    DMAc 1377.29
    2-ethoxyethanol 1013.65
    isopentanol 1637.28
    n-heptane 295.35
    ethyl formate 647.67
    1,2-dichloroethane 1379.29
    n-hexanol 1636.21
    2-methoxyethanol 1415.98
    isobutyl acetate 566.93
    tetrachloromethane 603.14
    n-pentyl acetate 818.15
    transcutol 3054.17
    n-heptanol 679.23
    ethylbenzene 525.37
    MIBK 779.73
    2-propoxyethanol 1470.48
    tert-butanol 2603.85
    MTBE 2037.94
    2-butoxyethanol 832.14
    propionic acid 919.9
    o-xylene 525.48
    formic acid 260.25
    diethyl ether 1575.8
    m-xylene 578.95
    p-xylene 692.26
    chlorobenzene 828.6
    dimethyl carbonate 255.42
    n-octane 140.63
    formamide 295.1
    cyclopentanone 1513.49
    2-pentanone 1165.59
    anisole 744.96
    cyclopentyl methyl ether 1374.6
    gamma-butyrolactone 1526.36
    1-methoxy-2-propanol 1255.82
    pyridine 1177.71
    3-pentanone 772.81
    furfural 1145.13
    n-dodecane 103.44
    diethylene glycol 795.26
    diisopropyl ether 604.17
    tert-amyl alcohol 2220.1
    acetylacetone 1011.98
    n-hexadecane 115.45
    acetophenone 644.01
    methyl propionate 737.09
    isopentyl acetate 1129.72
    trichloroethylene 2428.27
    n-nonanol 701.01
    cyclohexanol 1695.77
    benzyl alcohol 647.59
    2-ethylhexanol 920.81
    isooctanol 561.88
    dipropyl ether 879.95
    1,2-dichlorobenzene 743.37
    ethyl lactate 349.62
    propylene carbonate 977.86
    n-methylformamide 555.96
    2-pentanol 1395.62
    n-pentane 490.47
    1-propoxy-2-propanol 1137.84
    1-methoxy-2-propyl acetate 872.88
    2-(2-methoxypropoxy) propanol 819.18
    mesitylene 396.28
    ε-caprolactone 1612.84
    p-cymene 335.0
    epichlorohydrin 1649.96
    1,1,1-trichloroethane 1785.01
    2-aminoethanol 559.93
    morpholine-4-carbaldehyde 1455.59
    sulfolane 1573.17
    2,2,4-trimethylpentane 235.49
    2-methyltetrahydrofuran 2169.43
    n-hexyl acetate 1375.98
    isooctane 169.09
    2-(2-butoxyethoxy)ethanol 1084.84
    sec-butyl acetate 612.14
    tert-butyl acetate 991.92
    decalin 283.51
    glycerin 472.97
    diglyme 1526.21
    acrylic acid 612.85
    isopropyl myristate 469.05
    n-butyric acid 1543.22
    acetyl acetate 718.7
    di(2-ethylhexyl) phthalate 413.61
    ethyl propionate 626.24
    nitromethane 1193.48
    1,2-diethoxyethane 1209.46
    benzonitrile 866.07
    trioctyl phosphate 317.74
    1-bromopropane 1374.65
    gamma-valerolactone 1775.4
    n-decanol 496.79
    triethyl phosphate 330.53
    4-methyl-2-pentanol 777.43
    propionitrile 1019.44
    vinylene carbonate 870.28
    1,1,2-trichlorotrifluoroethane 1156.17
    DMS 604.66
    cumene 381.07
    2-octanol 611.72
    2-hexanone 950.24
    octyl acetate 595.19
    limonene 603.63
    1,2-dimethoxyethane 1629.27
    ethyl orthosilicate 351.12
    tributyl phosphate 404.95
    diacetone alcohol 968.63
    N,N-dimethylaniline 558.96
    acrylonitrile 907.65
    aniline 739.86
    1,3-propanediol 909.41
    bromobenzene 954.8
    dibromomethane 2154.54
    1,1,2,2-tetrachloroethane 2334.88
    2-methyl-cyclohexyl acetate 654.52
    tetrabutyl urea 477.46
    diisobutyl methanol 456.09
    2-phenylethanol 706.07
    styrene 599.83
    dioctyl adipate 603.7
    dimethyl sulfate 402.13
    ethyl butyrate 734.95
    methyl lactate 380.38
    butyl lactate 576.74
    diethyl carbonate 461.67
    propanediol butyl ether 895.34
    triethyl orthoformate 510.27
    p-tert-butyltoluene 331.54
    methyl 4-tert-butylbenzoate 636.88
    morpholine 2289.71
    tert-butylamine 1930.87
    n-dodecanol 373.3
    dimethoxymethane 849.23
    ethylene carbonate 757.74
    cyrene 609.9
    2-ethoxyethyl acetate 789.73
    2-ethylhexyl acetate 885.08
    1,2,4-trichlorobenzene 859.76
    4-methylpyridine 1453.26
    dibutyl ether 1020.91
    2,6-dimethyl-4-heptanol 456.09
    DEF 1125.37
    dimethyl isosorbide 1118.89
    tetrachloroethylene 1372.16
    eugenol 589.59
    triacetin 862.88
    span 80 842.83
    1,4-butanediol 451.98
    1,1-dichloroethane 1965.18
    2-methyl-1-pentanol 1261.57
    methyl formate 407.12
    2-methyl-1-butanol 1489.37
    n-decane 184.18
    butyronitrile 1415.64
    3,7-dimethyl-1-octanol 811.0
    1-chlorooctane 611.76
    1-chlorotetradecane 230.38
    n-nonane 204.77
    undecane 131.32
    tert-butylcyclohexane 295.26
    cyclooctane 205.56
    cyclopentanol 1393.28
    tetrahydropyran 2338.77
    tert-amyl methyl ether 1371.56
    2,5,8-trioxanonane 1096.1
    1-hexene 1491.47
    2-isopropoxyethanol 863.11
    2,2,2-trifluoroethanol 295.16
    methyl butyrate 867.55

    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