Butanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1118-27-00

    Molecular formula
    C15H26O2

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

    Retention indicies (RI)

    • Carbowax: 1695.0

  • Odor profile

    Fruity 88.15%
    Sweet 66.59%
    Floral 64.26%
    Citrus 56.0%
    Rose 52.95%
    Bergamot 51.99%
    Woody 49.76%
    Herbal 49.18%
    Tropical 44.91%
    Pear 44.07%

    Scent© AI

  • Properties

    XLogP3-AA
    4.7

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point est.
    109.5 ˚C

  • Synonyms

    • 69070-61-7
    • Linalyl 2-methylbutanoate
    • linalyl 2-methylbutyrate
    • DTXSID50887646
    • Butanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
    • Butanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
    • DTXCID201026934
    • LINALYL METHYL-ETHYL-ACETATE

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2308.06
    methanol 1605.79
    isopropanol 2459.13
    water 0.33
    ethyl acetate 2807.38
    n-propanol 2110.92
    acetone 1851.33
    n-butanol 2392.19
    acetonitrile 1169.92
    DMF 1713.9
    toluene 2325.16
    isobutanol 2105.17
    1,4-dioxane 3497.78
    methyl acetate 1792.18
    THF 4458.11
    2-butanone 2544.65
    n-pentanol 2132.48
    sec-butanol 3340.46
    n-hexane 1519.28
    ethylene glycol 81.57
    NMP 1905.64
    cyclohexane 1823.79
    DMSO 1044.71
    n-butyl acetate 3047.36
    n-octanol 1591.81
    chloroform 5876.58
    n-propyl acetate 1802.59
    acetic acid 984.07
    dichloromethane 4345.02
    cyclohexanone 3787.15
    propylene glycol 318.09
    isopropyl acetate 2138.88
    DMAc 2219.07
    2-ethoxyethanol 1362.25
    isopentanol 2686.0
    n-heptane 661.26
    ethyl formate 1078.55
    1,2-dichloroethane 2500.1
    n-hexanol 3015.41
    2-methoxyethanol 1418.25
    isobutyl acetate 1442.56
    tetrachloromethane 979.82
    n-pentyl acetate 1836.78
    transcutol 4236.44
    n-heptanol 1332.69
    ethylbenzene 1731.75
    MIBK 1629.49
    2-propoxyethanol 2159.16
    tert-butanol 3379.89
    MTBE 4684.4
    2-butoxyethanol 1354.19
    propionic acid 916.77
    o-xylene 1450.79
    formic acid 167.39
    diethyl ether 3286.13
    m-xylene 1520.45
    p-xylene 2276.28
    chlorobenzene 2016.35
    dimethyl carbonate 417.23
    n-octane 329.73
    formamide 250.41
    cyclopentanone 2532.73
    2-pentanone 2263.91
    anisole 1921.91
    cyclopentyl methyl ether 2670.56
    gamma-butyrolactone 2145.34
    1-methoxy-2-propanol 1479.86
    pyridine 2821.76
    3-pentanone 1645.02
    furfural 1659.07
    n-dodecane 220.15
    diethylene glycol 771.92
    diisopropyl ether 1427.45
    tert-amyl alcohol 4159.55
    acetylacetone 1738.47
    n-hexadecane 250.74
    acetophenone 1506.71
    methyl propionate 1390.85
    isopentyl acetate 3017.8
    trichloroethylene 4498.62
    n-nonanol 1361.57
    cyclohexanol 2910.86
    benzyl alcohol 1294.19
    2-ethylhexanol 2045.12
    isooctanol 1171.9
    dipropyl ether 1733.45
    1,2-dichlorobenzene 1754.49
    ethyl lactate 548.96
    propylene carbonate 1538.15
    n-methylformamide 581.21
    2-pentanol 2467.38
    n-pentane 879.93
    1-propoxy-2-propanol 1913.86
    1-methoxy-2-propyl acetate 1790.56
    2-(2-methoxypropoxy) propanol 1313.01
    mesitylene 977.21
    ε-caprolactone 3221.62
    p-cymene 862.63
    epichlorohydrin 2933.86
    1,1,1-trichloroethane 3524.47
    2-aminoethanol 371.75
    morpholine-4-carbaldehyde 2062.1
    sulfolane 1861.51
    2,2,4-trimethylpentane 535.4
    2-methyltetrahydrofuran 4759.28
    n-hexyl acetate 2764.67
    isooctane 392.92
    2-(2-butoxyethoxy)ethanol 1725.83
    sec-butyl acetate 1597.54
    tert-butyl acetate 2130.34
    decalin 764.97
    glycerin 292.33
    diglyme 2649.23
    acrylic acid 527.17
    isopropyl myristate 993.28
    n-butyric acid 2137.51
    acetyl acetate 1286.15
    di(2-ethylhexyl) phthalate 761.98
    ethyl propionate 1522.46
    nitromethane 1195.18
    1,2-diethoxyethane 2455.81
    benzonitrile 1639.99
    trioctyl phosphate 571.32
    1-bromopropane 2887.28
    gamma-valerolactone 2836.78
    n-decanol 955.88
    triethyl phosphate 658.18
    4-methyl-2-pentanol 1474.9
    propionitrile 1493.26
    vinylene carbonate 1310.01
    1,1,2-trichlorotrifluoroethane 1358.58
    DMS 1129.31
    cumene 1062.42
    2-octanol 1309.08
    2-hexanone 2069.46
    octyl acetate 1256.69
    limonene 1486.62
    1,2-dimethoxyethane 2726.62
    ethyl orthosilicate 712.14
    tributyl phosphate 737.11
    diacetone alcohol 1628.17
    N,N-dimethylaniline 1358.73
    acrylonitrile 1058.97
    aniline 1525.01
    1,3-propanediol 808.27
    bromobenzene 2457.3
    dibromomethane 3554.12
    1,1,2,2-tetrachloroethane 3983.57
    2-methyl-cyclohexyl acetate 1546.56
    tetrabutyl urea 865.68
    diisobutyl methanol 978.21
    2-phenylethanol 1643.69
    styrene 1842.96
    dioctyl adipate 1164.0
    dimethyl sulfate 514.7
    ethyl butyrate 1794.94
    methyl lactate 437.46
    butyl lactate 1023.01
    diethyl carbonate 1085.84
    propanediol butyl ether 1166.4
    triethyl orthoformate 1146.96
    p-tert-butyltoluene 836.19
    methyl 4-tert-butylbenzoate 1288.55
    morpholine 4158.01
    tert-butylamine 2694.43
    n-dodecanol 710.09
    dimethoxymethane 1294.73
    ethylene carbonate 1210.65
    cyrene 915.94
    2-ethoxyethyl acetate 1634.27
    2-ethylhexyl acetate 2399.01
    1,2,4-trichlorobenzene 1929.1
    4-methylpyridine 3739.3
    dibutyl ether 2012.54
    2,6-dimethyl-4-heptanol 978.21
    DEF 2200.16
    dimethyl isosorbide 1987.24
    tetrachloroethylene 2451.07
    eugenol 1111.17
    triacetin 1409.15
    span 80 1395.76
    1,4-butanediol 402.79
    1,1-dichloroethane 3541.36
    2-methyl-1-pentanol 2465.74
    methyl formate 455.43
    2-methyl-1-butanol 2615.62
    n-decane 392.99
    butyronitrile 2310.85
    3,7-dimethyl-1-octanol 1610.32
    1-chlorooctane 1235.74
    1-chlorotetradecane 487.52
    n-nonane 424.81
    undecane 281.49
    tert-butylcyclohexane 719.95
    cyclooctane 569.11
    cyclopentanol 1966.23
    tetrahydropyran 5550.3
    tert-amyl methyl ether 3317.93
    2,5,8-trioxanonane 1731.9
    1-hexene 2938.59
    2-isopropoxyethanol 1270.18
    2,2,2-trifluoroethanol 222.0
    methyl butyrate 2086.61

    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
Turmeric (Malaysia) 8024-37-1 Curcuma longa L. (C. domestica Val.), fam. Zingiberaceae 0.4%