3,7-Dimethyloct-6-en-3-yl acetate

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  • Identifiers

    CAS number
    50373-60-9

    Molecular formula
    C12H22O2

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

  • Odor profile

    Fragrance
    Floral 85.94%
    Fruity 80.17%
    Citrus 76.93%
    Sweet 69.87%
    Fresh 60.63%
    Rose 59.42%
    Bergamot 56.43%
    Woody 51.19%
    Green 47.86%
    Lavender 44.23%

     

    Flavor
    Green 66.47%
    Woody 56.59%
    Citrus 55.41%
    Sweet 51.03%
    Lavender 50.77%
    Floral 49.33%
    Bergamot 46.34%
    Rose 43.19%
    Bitter 42.94%
    Fruity 41.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    9.79 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    220°C

    Flash point

    • 93.5 ˚C est.

  • Synonyms

    • (1)-3,7-Dimethyloct-6-en-3-yl acetate
    • EINECS 256-559-8
    • 50373-60-9
    • 3,7-dimethyloct-6-en-3-yl acetate
    • SCHEMBL3749023
    • DTXSID50964643
    • NS00058478

  • Applications

    3,7-Dimethyloct-6-en-3-yl acetate (CAS 50373-60-9) is primarily used as an aroma ingredient and occasional fixative in perfumery, cosmetics, and personal care products. As a terpenoid ester, it serves as an intermediate in the synthesis of other aroma compounds and is evaluated for scent formulation in fragrance and flavor chemistry. It may be incorporated into household products such as cleaners and air fresheners to impart a pleasant odor. In industrial manufacturing, it is commonly used as a building block for developing terpenoid fragrance derivatives and for research into new aroma materials. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2761.6
    methanol 2943.69
    isopropanol 2770.71
    water 5.34
    ethyl acetate 1473.16
    n-propanol 2311.4
    acetone 1545.44
    n-butanol 2427.0
    acetonitrile 1121.14
    DMF 1912.73
    toluene 1082.8
    isobutanol 2074.55
    1,4-dioxane 3358.99
    methyl acetate 1238.53
    THF 3359.85
    2-butanone 1379.24
    n-pentanol 1760.97
    sec-butanol 2678.28
    n-hexane 1143.36
    ethylene glycol 388.84
    NMP 1807.39
    cyclohexane 1138.69
    DMSO 1079.95
    n-butyl acetate 1221.52
    n-octanol 1183.9
    chloroform 4057.96
    n-propyl acetate 794.7
    acetic acid 1447.67
    dichloromethane 2428.37
    cyclohexanone 2253.36
    propylene glycol 876.82
    isopropyl acetate 1127.88
    DMAc 2038.43
    2-ethoxyethanol 1347.75
    isopentanol 2185.21
    n-heptane 469.53
    ethyl formate 783.4
    1,2-dichloroethane 1383.4
    n-hexanol 2592.06
    2-methoxyethanol 2182.04
    isobutyl acetate 638.1
    tetrachloromethane 749.84
    n-pentyl acetate 889.95
    transcutol 3674.38
    n-heptanol 961.05
    ethylbenzene 695.25
    MIBK 911.61
    2-propoxyethanol 2252.24
    tert-butanol 3564.91
    MTBE 2995.66
    2-butoxyethanol 1066.77
    propionic acid 1237.23
    o-xylene 725.68
    formic acid 476.94
    diethyl ether 2221.66
    m-xylene 837.75
    p-xylene 863.19
    chlorobenzene 926.07
    dimethyl carbonate 383.19
    n-octane 188.82
    formamide 454.09
    cyclopentanone 1578.65
    2-pentanone 1280.66
    anisole 896.73
    cyclopentyl methyl ether 2077.84
    gamma-butyrolactone 1648.34
    1-methoxy-2-propanol 1944.27
    pyridine 1360.06
    3-pentanone 986.59
    furfural 1210.47
    n-dodecane 135.73
    diethylene glycol 1220.39
    diisopropyl ether 866.46
    tert-amyl alcohol 3173.73
    acetylacetone 1061.93
    n-hexadecane 150.54
    acetophenone 689.25
    methyl propionate 989.26
    isopentyl acetate 1150.69
    trichloroethylene 2243.03
    n-nonanol 1002.3
    cyclohexanol 2580.67
    benzyl alcohol 781.31
    2-ethylhexanol 1293.22
    isooctanol 714.62
    dipropyl ether 1074.14
    1,2-dichlorobenzene 791.5
    ethyl lactate 410.35
    propylene carbonate 1056.36
    n-methylformamide 783.04
    2-pentanol 1956.47
    n-pentane 763.7
    1-propoxy-2-propanol 1557.79
    1-methoxy-2-propyl acetate 1047.56
    2-(2-methoxypropoxy) propanol 982.12
    mesitylene 545.18
    ε-caprolactone 1986.41
    p-cymene 377.11
    epichlorohydrin 1835.72
    1,1,1-trichloroethane 1985.08
    2-aminoethanol 971.97
    morpholine-4-carbaldehyde 2144.78
    sulfolane 1512.85
    2,2,4-trimethylpentane 355.07
    2-methyltetrahydrofuran 3069.44
    n-hexyl acetate 1654.29
    isooctane 251.52
    2-(2-butoxyethoxy)ethanol 1425.37
    sec-butyl acetate 706.73
    tert-butyl acetate 1289.1
    decalin 436.17
    glycerin 827.93
    diglyme 1909.34
    acrylic acid 755.5
    isopropyl myristate 528.51
    n-butyric acid 1899.13
    acetyl acetate 825.25
    di(2-ethylhexyl) phthalate 454.36
    ethyl propionate 740.75
    nitromethane 1331.73
    1,2-diethoxyethane 1380.43
    benzonitrile 848.05
    trioctyl phosphate 349.23
    1-bromopropane 1521.84
    gamma-valerolactone 2191.54
    n-decanol 690.83
    triethyl phosphate 347.87
    4-methyl-2-pentanol 1113.9
    propionitrile 1130.72
    vinylene carbonate 913.59
    1,1,2-trichlorotrifluoroethane 1436.42
    DMS 737.96
    cumene 477.17
    2-octanol 811.27
    2-hexanone 965.85
    octyl acetate 700.24
    limonene 702.14
    1,2-dimethoxyethane 2148.48
    ethyl orthosilicate 392.95
    tributyl phosphate 419.75
    diacetone alcohol 1254.14
    N,N-dimethylaniline 697.75
    acrylonitrile 876.49
    aniline 1055.85
    1,3-propanediol 1370.33
    bromobenzene 1001.14
    dibromomethane 1946.24
    1,1,2,2-tetrachloroethane 2357.03
    2-methyl-cyclohexyl acetate 719.5
    tetrabutyl urea 515.15
    diisobutyl methanol 562.68
    2-phenylethanol 960.27
    styrene 745.33
    dioctyl adipate 631.94
    dimethyl sulfate 495.19
    ethyl butyrate 726.29
    methyl lactate 512.18
    butyl lactate 617.15
    diethyl carbonate 451.83
    propanediol butyl ether 1193.81
    triethyl orthoformate 558.1
    p-tert-butyltoluene 392.12
    methyl 4-tert-butylbenzoate 752.48
    morpholine 3811.73
    tert-butylamine 2777.1
    n-dodecanol 508.14
    dimethoxymethane 1372.2
    ethylene carbonate 884.39
    cyrene 696.86
    2-ethoxyethyl acetate 895.43
    2-ethylhexyl acetate 964.69
    1,2,4-trichlorobenzene 968.02
    4-methylpyridine 1851.36
    dibutyl ether 1163.83
    2,6-dimethyl-4-heptanol 562.68
    DEF 1474.46
    dimethyl isosorbide 1295.84
    tetrachloroethylene 1474.14
    eugenol 663.5
    triacetin 932.51
    span 80 1025.13
    1,4-butanediol 592.91
    1,1-dichloroethane 2021.04
    2-methyl-1-pentanol 1603.89
    methyl formate 563.51
    2-methyl-1-butanol 2168.85
    n-decane 251.21
    butyronitrile 1447.27
    3,7-dimethyl-1-octanol 1007.63
    1-chlorooctane 736.15
    1-chlorotetradecane 282.79
    n-nonane 281.08
    undecane 176.37
    tert-butylcyclohexane 458.68
    cyclooctane 385.06
    cyclopentanol 2030.69
    tetrahydropyran 3652.49
    tert-amyl methyl ether 2092.41
    2,5,8-trioxanonane 1332.23
    1-hexene 1787.23
    2-isopropoxyethanol 1050.05
    2,2,2-trifluoroethanol 429.64
    methyl butyrate 941.34

    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