Lavandulyl isobutyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C14H24O2

    SMILES
    CC(C)C(=O)OCC(CC=C(C)C)C(=C)C

    Retention indicies (RI)

    • DB5: 1420.5

  • Odor profile

    Fruity 88.33%
    Sweet 67.24%
    Floral 57.79%
    Rose 56.63%
    Herbal 56.26%
    Citrus 50.28%
    Tropical 41.87%
    Spicy 40.77%
    Bergamot 39.31%
    Woody 38.72%

    Scent© AI

  • Properties

    XLogP3-AA
    4.6

    Molecular weight
    224.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point est.
    99.78 ˚C

  • Synonyms

    • Lavandulyl isobutyrate
    • SCHEMBL23923660
    • HPBLXFPAJRUZKY-UHFFFAOYSA-N
    • Q67880162
    • (R)-5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl isobutyrate
    • Propanoic acid, 2-methyl-, (2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl ester
    • Propanoic acid, 2-methyl-, (2R)-5-methyl-2-(1-methylethenyl)-4-hexenyl ester
    • Propanoic acid, 2-methyl-, 5-methyl-2-(1-methylethenyl)-4-hexenyl ester, (R)-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2569.46
    methanol 1726.4
    isopropanol 2626.67
    water 1.02
    ethyl acetate 2913.39
    n-propanol 1902.37
    acetone 1995.5
    n-butanol 2304.05
    acetonitrile 1486.91
    DMF 1714.16
    toluene 1337.2
    isobutanol 1874.62
    1,4-dioxane 3598.64
    methyl acetate 1761.12
    THF 3793.91
    2-butanone 2036.21
    n-pentanol 1788.22
    sec-butanol 2835.84
    n-hexane 731.07
    ethylene glycol 124.86
    NMP 1520.84
    cyclohexane 829.82
    DMSO 943.93
    n-butyl acetate 2304.53
    n-octanol 1066.97
    chloroform 5175.53
    n-propyl acetate 1730.82
    acetic acid 1588.94
    dichloromethane 3969.21
    cyclohexanone 2568.65
    propylene glycol 432.75
    isopropyl acetate 2094.93
    DMAc 1846.6
    2-ethoxyethanol 1655.58
    isopentanol 2557.12
    n-heptane 299.04
    ethyl formate 1185.24
    1,2-dichloroethane 2241.69
    n-hexanol 2024.5
    2-methoxyethanol 1861.63
    isobutyl acetate 1204.26
    tetrachloromethane 1017.05
    n-pentyl acetate 1254.17
    transcutol 5222.43
    n-heptanol 1023.9
    ethylbenzene 1034.08
    MIBK 1398.8
    2-propoxyethanol 1977.61
    tert-butanol 4016.93
    MTBE 4408.13
    2-butoxyethanol 1353.5
    propionic acid 1042.98
    o-xylene 946.97
    formic acid 317.68
    diethyl ether 2809.27
    m-xylene 1021.6
    p-xylene 1519.54
    chlorobenzene 1435.51
    dimethyl carbonate 402.91
    n-octane 140.73
    formamide 511.76
    cyclopentanone 2069.36
    2-pentanone 1984.22
    anisole 1452.66
    cyclopentyl methyl ether 2067.07
    gamma-butyrolactone 2015.52
    1-methoxy-2-propanol 1773.34
    pyridine 2193.39
    3-pentanone 1210.32
    furfural 1684.05
    n-dodecane 92.98
    diethylene glycol 874.76
    diisopropyl ether 1172.78
    tert-amyl alcohol 3938.58
    acetylacetone 1796.39
    n-hexadecane 106.16
    acetophenone 1206.76
    methyl propionate 1313.93
    isopentyl acetate 2216.02
    trichloroethylene 4403.99
    n-nonanol 934.23
    cyclohexanol 2137.46
    benzyl alcohol 1108.07
    2-ethylhexanol 1354.72
    isooctanol 945.68
    dipropyl ether 1312.35
    1,2-dichlorobenzene 1270.14
    ethyl lactate 553.35
    propylene carbonate 1462.68
    n-methylformamide 705.59
    2-pentanol 2294.26
    n-pentane 489.27
    1-propoxy-2-propanol 1731.85
    1-methoxy-2-propyl acetate 1613.91
    2-(2-methoxypropoxy) propanol 1253.59
    mesitylene 668.96
    ε-caprolactone 2486.74
    p-cymene 573.14
    epichlorohydrin 2796.15
    1,1,1-trichloroethane 3227.8
    2-aminoethanol 544.54
    morpholine-4-carbaldehyde 2018.86
    sulfolane 1523.82
    2,2,4-trimethylpentane 343.34
    2-methyltetrahydrofuran 3806.15
    n-hexyl acetate 1830.49
    isooctane 265.94
    2-(2-butoxyethoxy)ethanol 1770.46
    sec-butyl acetate 1486.26
    tert-butyl acetate 2044.26
    decalin 429.76
    glycerin 415.14
    diglyme 2864.13
    acrylic acid 631.67
    isopropyl myristate 671.25
    n-butyric acid 2485.49
    acetyl acetate 1437.59
    di(2-ethylhexyl) phthalate 548.69
    ethyl propionate 1384.88
    nitromethane 1799.12
    1,2-diethoxyethane 2257.98
    benzonitrile 1247.92
    trioctyl phosphate 397.96
    1-bromopropane 1852.17
    gamma-valerolactone 2717.38
    n-decanol 649.08
    triethyl phosphate 530.44
    4-methyl-2-pentanol 1375.55
    propionitrile 1245.87
    vinylene carbonate 1190.3
    1,1,2-trichlorotrifluoroethane 1587.72
    DMS 861.91
    cumene 725.78
    2-octanol 888.78
    2-hexanone 1641.25
    octyl acetate 837.84
    limonene 917.35
    1,2-dimethoxyethane 2809.14
    ethyl orthosilicate 613.44
    tributyl phosphate 510.31
    diacetone alcohol 1728.46
    N,N-dimethylaniline 1010.4
    acrylonitrile 1004.8
    aniline 1267.33
    1,3-propanediol 1115.85
    bromobenzene 1638.78
    dibromomethane 2828.41
    1,1,2,2-tetrachloroethane 3866.1
    2-methyl-cyclohexyl acetate 1192.67
    tetrabutyl urea 559.63
    diisobutyl methanol 749.79
    2-phenylethanol 1149.25
    styrene 1134.58
    dioctyl adipate 837.12
    dimethyl sulfate 501.77
    ethyl butyrate 1482.11
    methyl lactate 462.18
    butyl lactate 848.21
    diethyl carbonate 886.94
    propanediol butyl ether 1155.72
    triethyl orthoformate 984.73
    p-tert-butyltoluene 567.17
    methyl 4-tert-butylbenzoate 1021.21
    morpholine 4185.92
    tert-butylamine 2954.59
    n-dodecanol 466.48
    dimethoxymethane 1214.05
    ethylene carbonate 1109.68
    cyrene 856.32
    2-ethoxyethyl acetate 1409.77
    2-ethylhexyl acetate 1707.56
    1,2,4-trichlorobenzene 1493.9
    4-methylpyridine 2604.1
    dibutyl ether 1344.23
    2,6-dimethyl-4-heptanol 749.79
    DEF 1904.26
    dimethyl isosorbide 1773.17
    tetrachloroethylene 2461.94
    eugenol 946.75
    triacetin 1174.58
    span 80 1210.99
    1,4-butanediol 484.56
    1,1-dichloroethane 3121.78
    2-methyl-1-pentanol 2002.88
    methyl formate 510.56
    2-methyl-1-butanol 2276.13
    n-decane 183.59
    butyronitrile 1943.1
    3,7-dimethyl-1-octanol 1204.6
    1-chlorooctane 733.74
    1-chlorotetradecane 254.48
    n-nonane 182.7
    undecane 124.05
    tert-butylcyclohexane 449.94
    cyclooctane 256.1
    cyclopentanol 1500.2
    tetrahydropyran 4065.28
    tert-amyl methyl ether 2848.29
    2,5,8-trioxanonane 1680.54
    1-hexene 1762.38
    2-isopropoxyethanol 1419.15
    2,2,2-trifluoroethanol 414.14
    methyl butyrate 1881.77

    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
Tessaria absinthioides (Argentina) Tessaria absinthioides (Hook et Arn.) D. Candole, fam. Asteraceae (Comp.) 0.75%
Mentha longifolia (Iran) 2 90063-99-3 Mentha longifolia (L.) Hudson, fam. Lamiaceae (Labiatae) 0.1%
Argyranthemum adauctum ssp. adauctum Argyranthemum adauctum ssp.adauctum Humphries, fam.Asteraceae (Compositae) 0.7%
Argyranthemum adauctum ssp. gracile Argyranthemum adauctum ssp.gracile Humphries, fam. Asteraceae (Compositae) 1.2%
Lavender (France) 8 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.02%