(R)-3,7-Dimethyloct-6-enyl butyrate

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  • Identifiers

    CAS number
    93919-89-2

    Molecular formula
    C14H26O2

    SMILES
    CCCC(=O)OCC[C@H](C)CCC=C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 87.18%
    Fruity 86.11%
    Rose 83.36%
    Sweet 63.17%
    Green 58.91%
    Waxy 58.53%
    Geranium 54.55%
    Citrus 54.37%
    Tropical 49.83%
    Apple 49.45%

     

    Flavor
    Fruity 74.58%
    Rose 63.1%
    Green 62.58%
    Floral 57.44%
    Waxy 57.34%
    Sweet 55.13%
    Tropical 51.06%
    Geranium 44.66%
    Apple 44.57%
    Fruit 43.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.39 (weak base)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    261°C

    Flash point

    • 110.62 ˚C est.

  • Synonyms

    • (R)-3,7-Dimethyloct-6-enyl butyrate
    • 93919-89-2
    • EINECS 300-074-7
    • (3R)-3,7-DIMETHYLOCT-6-EN-1-YL BUTANOATE
    • XQPZQXTWYZAXAK-CYBMUJFWSA-N
    • DTXSID301231362
    • NS00092149
    • Butanoic acid, 3,7-dimethyl-6-octenyl ester, (R)-
    • 93919-89-2

  • Applications

    The chemical name is (R)-3,7-Dimethyloct-6-enyl butyrate (CAS 93919-89-2); this chiral alkenyl ester is primarily used as a fragrance ingredient in perfumery, contributing aroma notes in cosmetics and personal care products. It is also employed in household products such as air fresheners and cleaners to impart a specific aroma, can function as a fragrance fixative to extend fragrance longevity, and is evaluated as an intermediate for the synthesis of related aroma compounds in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4574.99
    methanol 3747.6
    isopropanol 3941.8
    water 0.2
    ethyl acetate 2966.71
    n-propanol 3212.52
    acetone 3436.67
    n-butanol 3239.52
    acetonitrile 2207.92
    DMF 1513.72
    toluene 1138.09
    isobutanol 2413.32
    1,4-dioxane 4262.61
    methyl acetate 1687.12
    THF 5066.02
    2-butanone 2591.44
    n-pentanol 2253.7
    sec-butanol 3337.85
    n-hexane 989.9
    ethylene glycol 132.78
    NMP 1281.07
    cyclohexane 1400.55
    DMSO 1698.44
    n-butyl acetate 2363.79
    n-octanol 939.92
    chloroform 5036.59
    n-propyl acetate 1825.0
    acetic acid 1650.79
    dichloromethane 4149.12
    cyclohexanone 3662.05
    propylene glycol 456.48
    isopropyl acetate 1889.59
    DMAc 1307.81
    2-ethoxyethanol 1736.18
    isopentanol 2734.9
    n-heptane 359.92
    ethyl formate 1253.04
    1,2-dichloroethane 2510.42
    n-hexanol 2304.66
    2-methoxyethanol 2399.18
    isobutyl acetate 1084.74
    tetrachloromethane 748.61
    n-pentyl acetate 1331.5
    transcutol 5614.94
    n-heptanol 849.57
    ethylbenzene 692.01
    MIBK 1381.51
    2-propoxyethanol 2160.09
    tert-butanol 3995.72
    MTBE 3824.14
    2-butoxyethanol 1181.72
    propionic acid 1158.18
    o-xylene 644.26
    formic acid 250.86
    diethyl ether 4085.42
    m-xylene 768.96
    p-xylene 940.55
    chlorobenzene 1368.74
    dimethyl carbonate 257.31
    n-octane 134.95
    formamide 363.06
    cyclopentanone 2347.93
    2-pentanone 2483.25
    anisole 1049.73
    cyclopentyl methyl ether 2412.22
    gamma-butyrolactone 2042.97
    1-methoxy-2-propanol 1896.41
    pyridine 2611.75
    3-pentanone 1326.55
    furfural 1546.58
    n-dodecane 81.18
    diethylene glycol 832.99
    diisopropyl ether 1089.59
    tert-amyl alcohol 3119.67
    acetylacetone 1678.59
    n-hexadecane 96.15
    acetophenone 869.84
    methyl propionate 1213.13
    isopentyl acetate 2046.12
    trichloroethylene 3980.04
    n-nonanol 791.23
    cyclohexanol 2864.64
    benzyl alcohol 917.79
    2-ethylhexanol 1268.15
    isooctanol 690.16
    dipropyl ether 1644.4
    1,2-dichlorobenzene 1074.41
    ethyl lactate 489.38
    propylene carbonate 1331.17
    n-methylformamide 756.43
    2-pentanol 2425.51
    n-pentane 583.59
    1-propoxy-2-propanol 1783.37
    1-methoxy-2-propyl acetate 1441.47
    2-(2-methoxypropoxy) propanol 994.52
    mesitylene 494.54
    ε-caprolactone 2631.6
    p-cymene 430.24
    epichlorohydrin 2952.96
    1,1,1-trichloroethane 2838.14
    2-aminoethanol 595.54
    morpholine-4-carbaldehyde 1712.29
    sulfolane 1727.18
    2,2,4-trimethylpentane 244.64
    2-methyltetrahydrofuran 4597.82
    n-hexyl acetate 1840.8
    isooctane 199.12
    2-(2-butoxyethoxy)ethanol 1546.31
    sec-butyl acetate 1319.56
    tert-butyl acetate 1691.28
    decalin 373.78
    glycerin 403.01
    diglyme 2500.31
    acrylic acid 617.12
    isopropyl myristate 585.19
    n-butyric acid 2890.87
    acetyl acetate 1184.09
    di(2-ethylhexyl) phthalate 456.1
    ethyl propionate 1297.1
    nitromethane 1786.06
    1,2-diethoxyethane 2372.89
    benzonitrile 1289.79
    trioctyl phosphate 345.7
    1-bromopropane 2347.52
    gamma-valerolactone 2922.54
    n-decanol 536.73
    triethyl phosphate 425.23
    4-methyl-2-pentanol 1100.54
    propionitrile 1703.6
    vinylene carbonate 1063.45
    1,1,2-trichlorotrifluoroethane 1461.85
    DMS 737.32
    cumene 467.85
    2-octanol 720.07
    2-hexanone 1915.59
    octyl acetate 727.44
    limonene 821.55
    1,2-dimethoxyethane 2998.71
    ethyl orthosilicate 467.36
    tributyl phosphate 470.14
    diacetone alcohol 1412.79
    N,N-dimethylaniline 651.32
    acrylonitrile 1219.61
    aniline 1298.82
    1,3-propanediol 1298.6
    bromobenzene 1499.43
    dibromomethane 3209.89
    1,1,2,2-tetrachloroethane 3562.32
    2-methyl-cyclohexyl acetate 956.65
    tetrabutyl urea 534.06
    diisobutyl methanol 662.9
    2-phenylethanol 998.62
    styrene 875.87
    dioctyl adipate 753.49
    dimethyl sulfate 327.38
    ethyl butyrate 1426.43
    methyl lactate 399.17
    butyl lactate 798.78
    diethyl carbonate 736.51
    propanediol butyl ether 1056.54
    triethyl orthoformate 853.1
    p-tert-butyltoluene 403.26
    methyl 4-tert-butylbenzoate 742.02
    morpholine 5514.45
    tert-butylamine 2722.81
    n-dodecanol 386.13
    dimethoxymethane 1345.75
    ethylene carbonate 1045.13
    cyrene 689.52
    2-ethoxyethyl acetate 1364.56
    2-ethylhexyl acetate 1497.52
    1,2,4-trichlorobenzene 1208.28
    4-methylpyridine 2807.29
    dibutyl ether 1580.48
    2,6-dimethyl-4-heptanol 662.9
    DEF 1837.16
    dimethyl isosorbide 1409.41
    tetrachloroethylene 2161.06
    eugenol 725.92
    triacetin 1064.2
    span 80 1082.34
    1,4-butanediol 489.39
    1,1-dichloroethane 3249.56
    2-methyl-1-pentanol 1865.31
    methyl formate 462.85
    2-methyl-1-butanol 2374.0
    n-decane 172.91
    butyronitrile 2855.88
    3,7-dimethyl-1-octanol 918.67
    1-chlorooctane 685.43
    1-chlorotetradecane 227.51
    n-nonane 185.68
    undecane 112.3
    tert-butylcyclohexane 343.38
    cyclooctane 308.08
    cyclopentanol 2068.79
    tetrahydropyran 6447.22
    tert-amyl methyl ether 2068.92
    2,5,8-trioxanonane 1475.78
    1-hexene 2462.03
    2-isopropoxyethanol 1282.48
    2,2,2-trifluoroethanol 278.99
    methyl butyrate 1904.12

    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