Lavandulyl 2-methylbutyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C15H26O2

    SMILES
    CCC(C)C(=O)OCC(CCC(=C)C)C(=C)C

    Retention indicies (RI)

    • DB5: 1513.0

  • Odor profile

    Fruity 83.82%
    Floral 55.38%
    Rose 52.64%
    Herbal 50.53%
    Sweet 49.85%
    Woody 40.61%
    Citrus 38.28%
    Spicy 36.79%
    Dry 33.88%
    Berry 33.8%

    Scent© AI

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    7.26 (neutral)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point est.
    105.17 ˚C

  • Synonyms

    • Lavandulyl 2-methylbutyrate
    • Lavandulyle 2-methylbutyrate
    • IBKFLDWCDDVSDC-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8956.48
    methanol 8781.77
    isopropanol 7748.57
    water 1.73
    ethyl acetate 7650.98
    n-propanol 5945.29
    acetone 5648.47
    n-butanol 5946.09
    acetonitrile 4951.03
    DMF 3755.68
    toluene 1842.12
    isobutanol 5002.5
    1,4-dioxane 8649.68
    methyl acetate 4238.27
    THF 7624.51
    2-butanone 4741.41
    n-pentanol 3746.0
    sec-butanol 6713.74
    n-hexane 605.34
    ethylene glycol 341.06
    NMP 2512.78
    cyclohexane 976.54
    DMSO 2411.45
    n-butyl acetate 4747.38
    n-octanol 1361.01
    chloroform 8120.14
    n-propyl acetate 3640.65
    acetic acid 4579.48
    dichloromethane 6667.23
    cyclohexanone 5771.77
    propylene glycol 1007.38
    isopropyl acetate 4702.9
    DMAc 2993.83
    2-ethoxyethanol 3691.9
    isopentanol 5332.38
    n-heptane 225.99
    ethyl formate 3201.45
    1,2-dichloroethane 4367.63
    n-hexanol 3802.75
    2-methoxyethanol 5155.21
    isobutyl acetate 2160.09
    tetrachloromethane 1229.68
    n-pentyl acetate 2050.7
    transcutol 10613.48
    n-heptanol 1378.48
    ethylbenzene 1181.14
    MIBK 2561.33
    2-propoxyethanol 4185.14
    tert-butanol 8955.33
    MTBE 8270.09
    2-butoxyethanol 2175.68
    propionic acid 2709.2
    o-xylene 1154.15
    formic acid 1015.15
    diethyl ether 6724.07
    m-xylene 1231.62
    p-xylene 1788.71
    chlorobenzene 2260.51
    dimethyl carbonate 709.91
    n-octane 105.82
    formamide 1602.55
    cyclopentanone 4108.9
    2-pentanone 4364.2
    anisole 2122.65
    cyclopentyl methyl ether 3620.07
    gamma-butyrolactone 4402.47
    1-methoxy-2-propanol 4448.35
    pyridine 4779.83
    3-pentanone 2352.81
    furfural 3216.52
    n-dodecane 75.7
    diethylene glycol 1946.88
    diisopropyl ether 1875.45
    tert-amyl alcohol 7094.46
    acetylacetone 3850.11
    n-hexadecane 89.27
    acetophenone 1667.09
    methyl propionate 2981.19
    isopentyl acetate 4163.47
    trichloroethylene 7952.93
    n-nonanol 1143.48
    cyclohexanol 4540.02
    benzyl alcohol 1701.51
    2-ethylhexanol 1986.72
    isooctanol 1248.03
    dipropyl ether 2143.31
    1,2-dichlorobenzene 1755.22
    ethyl lactate 901.41
    propylene carbonate 2847.88
    n-methylformamide 2127.3
    2-pentanol 4620.73
    n-pentane 455.9
    1-propoxy-2-propanol 3432.31
    1-methoxy-2-propyl acetate 3101.29
    2-(2-methoxypropoxy) propanol 1689.11
    mesitylene 751.94
    ε-caprolactone 5199.88
    p-cymene 618.41
    epichlorohydrin 5646.27
    1,1,1-trichloroethane 5074.29
    2-aminoethanol 1466.32
    morpholine-4-carbaldehyde 3680.51
    sulfolane 2736.8
    2,2,4-trimethylpentane 311.67
    2-methyltetrahydrofuran 7438.99
    n-hexyl acetate 2785.42
    isooctane 228.41
    2-(2-butoxyethoxy)ethanol 2788.58
    sec-butyl acetate 2827.22
    tert-butyl acetate 3997.03
    decalin 394.4
    glycerin 959.25
    diglyme 4801.63
    acrylic acid 1485.77
    isopropyl myristate 838.92
    n-butyric acid 6500.73
    acetyl acetate 3035.71
    di(2-ethylhexyl) phthalate 676.74
    ethyl propionate 2762.57
    nitromethane 5128.79
    1,2-diethoxyethane 4482.31
    benzonitrile 2115.35
    trioctyl phosphate 485.89
    1-bromopropane 3041.65
    gamma-valerolactone 5936.15
    n-decanol 768.29
    triethyl phosphate 710.34
    4-methyl-2-pentanol 2242.33
    propionitrile 3151.47
    vinylene carbonate 2330.09
    1,1,2-trichlorotrifluoroethane 2803.75
    DMS 1337.38
    cumene 793.59
    2-octanol 1166.93
    2-hexanone 3032.27
    octyl acetate 1068.55
    limonene 1118.11
    1,2-dimethoxyethane 6160.18
    ethyl orthosilicate 806.61
    tributyl phosphate 673.28
    diacetone alcohol 3087.71
    N,N-dimethylaniline 1199.64
    acrylonitrile 2474.32
    aniline 2270.1
    1,3-propanediol 3163.7
    bromobenzene 2386.04
    dibromomethane 4405.92
    1,1,2,2-tetrachloroethane 6471.65
    2-methyl-cyclohexyl acetate 1625.83
    tetrabutyl urea 724.25
    diisobutyl methanol 988.47
    2-phenylethanol 1755.05
    styrene 1432.72
    dioctyl adipate 1049.76
    dimethyl sulfate 790.76
    ethyl butyrate 2802.51
    methyl lactate 898.61
    butyl lactate 1303.49
    diethyl carbonate 1479.59
    propanediol butyl ether 1788.44
    triethyl orthoformate 1638.78
    p-tert-butyltoluene 588.86
    methyl 4-tert-butylbenzoate 1262.26
    morpholine 11036.57
    tert-butylamine 5473.88
    n-dodecanol 535.99
    dimethoxymethane 2682.43
    ethylene carbonate 2371.86
    cyrene 1129.63
    2-ethoxyethyl acetate 2498.86
    2-ethylhexyl acetate 2827.17
    1,2,4-trichlorobenzene 2044.3
    4-methylpyridine 5050.2
    dibutyl ether 2074.53
    2,6-dimethyl-4-heptanol 988.47
    DEF 4026.86
    dimethyl isosorbide 2425.93
    tetrachloroethylene 4052.2
    eugenol 1245.89
    triacetin 1586.64
    span 80 1595.98
    1,4-butanediol 1070.99
    1,1-dichloroethane 5673.54
    2-methyl-1-pentanol 3645.77
    methyl formate 1391.36
    2-methyl-1-butanol 4815.51
    n-decane 149.92
    butyronitrile 4672.32
    3,7-dimethyl-1-octanol 1516.64
    1-chlorooctane 815.67
    1-chlorotetradecane 251.72
    n-nonane 147.14
    undecane 102.63
    tert-butylcyclohexane 392.79
    cyclooctane 208.67
    cyclopentanol 3255.12
    tetrahydropyran 9655.97
    tert-amyl methyl ether 4298.18
    2,5,8-trioxanonane 2616.08
    1-hexene 2261.42
    2-isopropoxyethanol 2712.41
    2,2,2-trifluoroethanol 888.2
    methyl butyrate 3943.91

    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
Valerian, Living Flowers Valeriana officinalis L., fam. Valerianaceae 2.41%
Valerian, Picked Flowers Valeriana officinalis L., fam. Valerianaceae 2.32%
Valerian, Flower Valeriana officinalis L., fam. Valerianaceae 0.63%