(E)-Sesquilavandulyl acetate

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C17H28O2

    SMILES
    CC(=CCC/C(=C/CC(COC(=O)C)C(=C)C)/C)C

  • Odor profile

    Floral 75.7%
    Sweet 68.16%
    Fruity 66.91%
    Citrus 60.11%
    Rose 59.45%
    Woody 54.62%
    Waxy 50.03%
    Fresh 47.23%
    Green 45.61%
    Herbal 42.08%

    Scent© AI

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    7.81 (neutral)

    Molecular weight
    264.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    296°C

    Flash point est.
    127.33 ˚C

  • Synonyms

    • (E)-Sesquilavandulyl acetate
    • WKGRFMQERVPGIC-XNTDXEJSSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1044.72
    methanol 647.12
    isopropanol 939.58
    water 0.16
    ethyl acetate 952.85
    n-propanol 743.13
    acetone 626.06
    n-butanol 775.54
    acetonitrile 338.8
    DMF 476.0
    toluene 433.17
    isobutanol 542.01
    1,4-dioxane 1839.79
    methyl acetate 564.67
    THF 2176.9
    2-butanone 700.19
    n-pentanol 607.36
    sec-butanol 901.6
    n-hexane 118.93
    ethylene glycol 36.87
    NMP 447.76
    cyclohexane 174.79
    DMSO 462.22
    n-butyl acetate 583.57
    n-octanol 301.83
    chloroform 1757.8
    n-propyl acetate 549.72
    acetic acid 328.42
    dichloromethane 1302.03
    cyclohexanone 832.26
    propylene glycol 209.17
    isopropyl acetate 652.93
    DMAc 706.45
    2-ethoxyethanol 777.8
    isopentanol 705.27
    n-heptane 63.0
    ethyl formate 299.31
    1,2-dichloroethane 677.87
    n-hexanol 635.59
    2-methoxyethanol 908.57
    isobutyl acetate 388.93
    tetrachloromethane 189.56
    n-pentyl acetate 365.66
    transcutol 2742.9
    n-heptanol 281.78
    ethylbenzene 308.05
    MIBK 457.76
    2-propoxyethanol 873.02
    tert-butanol 1190.61
    MTBE 1144.9
    2-butoxyethanol 505.32
    propionic acid 295.31
    o-xylene 263.69
    formic acid 66.23
    diethyl ether 961.06
    m-xylene 318.39
    p-xylene 394.99
    chlorobenzene 398.8
    dimethyl carbonate 130.6
    n-octane 27.72
    formamide 128.71
    cyclopentanone 719.05
    2-pentanone 630.06
    anisole 603.92
    cyclopentyl methyl ether 855.01
    gamma-butyrolactone 614.64
    1-methoxy-2-propanol 945.06
    pyridine 785.54
    3-pentanone 396.58
    furfural 539.02
    n-dodecane 21.67
    diethylene glycol 352.5
    diisopropyl ether 292.66
    tert-amyl alcohol 1013.1
    acetylacetone 593.36
    n-hexadecane 25.56
    acetophenone 425.35
    methyl propionate 455.09
    isopentyl acetate 599.43
    trichloroethylene 1198.85
    n-nonanol 283.35
    cyclohexanol 635.91
    benzyl alcohol 409.6
    2-ethylhexanol 393.68
    isooctanol 244.66
    dipropyl ether 464.69
    1,2-dichlorobenzene 344.07
    ethyl lactate 221.41
    propylene carbonate 426.42
    n-methylformamide 193.63
    2-pentanol 630.57
    n-pentane 79.01
    1-propoxy-2-propanol 711.63
    1-methoxy-2-propyl acetate 680.59
    2-(2-methoxypropoxy) propanol 601.68
    mesitylene 190.48
    ε-caprolactone 781.21
    p-cymene 169.43
    epichlorohydrin 1093.36
    1,1,1-trichloroethane 778.23
    2-aminoethanol 218.68
    morpholine-4-carbaldehyde 826.47
    sulfolane 551.29
    2,2,4-trimethylpentane 62.57
    2-methyltetrahydrofuran 1659.1
    n-hexyl acetate 573.16
    isooctane 46.33
    2-(2-butoxyethoxy)ethanol 864.4
    sec-butyl acetate 485.85
    tert-butyl acetate 675.05
    decalin 96.43
    glycerin 189.03
    diglyme 1319.09
    acrylic acid 156.17
    isopropyl myristate 234.47
    n-butyric acid 669.84
    acetyl acetate 449.47
    di(2-ethylhexyl) phthalate 213.7
    ethyl propionate 467.94
    nitromethane 413.45
    1,2-diethoxyethane 981.62
    benzonitrile 366.62
    trioctyl phosphate 137.45
    1-bromopropane 560.11
    gamma-valerolactone 1079.13
    n-decanol 203.88
    triethyl phosphate 211.84
    4-methyl-2-pentanol 359.93
    propionitrile 356.1
    vinylene carbonate 336.47
    1,1,2-trichlorotrifluoroethane 564.82
    DMS 322.99
    cumene 211.19
    2-octanol 220.95
    2-hexanone 545.61
    octyl acetate 290.64
    limonene 267.13
    1,2-dimethoxyethane 1260.48
    ethyl orthosilicate 232.61
    tributyl phosphate 182.39
    diacetone alcohol 664.11
    N,N-dimethylaniline 388.31
    acrylonitrile 277.67
    aniline 458.61
    1,3-propanediol 424.18
    bromobenzene 440.72
    dibromomethane 853.17
    1,1,2,2-tetrachloroethane 1172.23
    2-methyl-cyclohexyl acetate 433.13
    tetrabutyl urea 221.99
    diisobutyl methanol 215.98
    2-phenylethanol 421.44
    styrene 343.11
    dioctyl adipate 350.25
    dimethyl sulfate 158.11
    ethyl butyrate 481.06
    methyl lactate 190.65
    butyl lactate 300.09
    diethyl carbonate 300.07
    propanediol butyl ether 485.39
    triethyl orthoformate 371.31
    p-tert-butyltoluene 169.81
    methyl 4-tert-butylbenzoate 398.47
    morpholine 2239.66
    tert-butylamine 727.18
    n-dodecanol 148.83
    dimethoxymethane 578.4
    ethylene carbonate 325.32
    cyrene 404.45
    2-ethoxyethyl acetate 538.07
    2-ethylhexyl acetate 467.07
    1,2,4-trichlorobenzene 433.09
    4-methylpyridine 836.4
    dibutyl ether 475.74
    2,6-dimethyl-4-heptanol 215.98
    DEF 562.14
    dimethyl isosorbide 871.68
    tetrachloroethylene 608.35
    eugenol 369.89
    triacetin 514.94
    span 80 561.26
    1,4-butanediol 159.44
    1,1-dichloroethane 881.94
    2-methyl-1-pentanol 585.68
    methyl formate 120.57
    2-methyl-1-butanol 599.6
    n-decane 43.71
    butyronitrile 521.0
    3,7-dimethyl-1-octanol 345.18
    1-chlorooctane 191.34
    1-chlorotetradecane 71.52
    n-nonane 40.88
    undecane 29.53
    tert-butylcyclohexane 98.84
    cyclooctane 49.66
    cyclopentanol 485.43
    tetrahydropyran 1938.89
    tert-amyl methyl ether 738.69
    2,5,8-trioxanonane 918.82
    1-hexene 431.06
    2-isopropoxyethanol 580.07
    2,2,2-trifluoroethanol 74.64
    methyl butyrate 575.91

    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
Schizogyne glaberrima (Spain/Canary Islands) Schizogyne glaberrima DC., fam. Asteraceae (Compositae) 0.01%