Lepidiumterpenyl ester

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  • Identifiers

    CAS number
    255833-57-9

    Molecular formula
    C23H42O4

    SMILES
    CC(CCCC(C)CCC(=O)O)CCCC(C)C(=O)OCCCCCC=C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 50.37%
    Fatty 46.71%
    Floral 37.79%
    Oily 36.92%
    Woody 33.92%
    Sweet 31.29%
    Milky 30.08%
    Citrus 28.48%
    Peach 28.32%
    Fresh 27.85%

     

    Flavor
    Waxy 41.75%
    Oily 35.02%
    Fruity 31.8%
    Fatty 29.45%
    Mild 26.51%
    Soapy 24.15%
    Floral 23.62%
    Green 23.04%
    Bland 22.02%
    Slightly waxy 21.49%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    6.41 (neutral)

    Molecular weight
    382.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    422°C

    Melting point expt.

    • 100 - 101 °C

    Flash point

    • 207.24 ˚C est.

  • Synonyms

    • Lepidiumterpenyl ester
    • CHEBI:168403
    • DTXSID501232459
    • 13-(hept-6-en-1-yloxy)-4,8,12-trimethyl-13-oxotridecanoic acid
    • 255833-57-9
    • 1-(6-Hepten-1-yl) 2,6,10-trimethyltridecanedioate
    • 13-hept-6-enoxy-4,8,12-trimethyl-13-oxotridecanoic acid
    • 13-[(Hept-6-en-1-yl)oxy]-4,8,12-trimethyl-13-oxotridecanoic acid
    • 255833-57-9

  • Applications

    Lepidiumterpenyl ester (CAS 255833-57-9) is considered a fragrance ingredient and fixative in perfumery, contributing to scent longevity and stability in formulations; in cosmetics and personal care, it can function as a fragrance component or fragrance additive; in household and cleaning products, it may be used to impart pleasant aroma to detergents, cleaners, and fabric-care products; in industrial manufacturing, it may serve as an intermediate for the synthesis of aroma-related compounds; and in coatings and inks, it can be used as a fragrance additive to impart or enhance odor in surface coatings or printed materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 92.17
    methanol 104.52
    isopropanol 56.08
    water 0.04
    ethyl acetate 67.57
    n-propanol 71.83
    acetone 73.44
    n-butanol 74.76
    acetonitrile 14.45
    DMF 96.86
    toluene 39.43
    isobutanol 51.37
    1,4-dioxane 119.9
    methyl acetate 43.46
    THF 373.33
    2-butanone 94.42
    n-pentanol 81.44
    sec-butanol 68.94
    n-hexane 5.18
    ethylene glycol 3.44
    NMP 213.25
    cyclohexane 9.95
    DMSO 173.26
    n-butyl acetate 79.52
    n-octanol 42.02
    chloroform 136.3
    n-propyl acetate 81.18
    acetic acid 56.79
    dichloromethane 143.1
    cyclohexanone 208.11
    propylene glycol 13.77
    isopropyl acetate 74.48
    DMAc 255.84
    2-ethoxyethanol 157.78
    isopentanol 82.19
    n-heptane 2.91
    ethyl formate 36.82
    1,2-dichloroethane 106.15
    n-hexanol 55.94
    2-methoxyethanol 141.61
    isobutyl acetate 63.25
    tetrachloromethane 22.15
    n-pentyl acetate 102.75
    transcutol 658.08
    n-heptanol 44.98
    ethylbenzene 32.01
    MIBK 91.91
    2-propoxyethanol 142.26
    tert-butanol 81.75
    MTBE 92.87
    2-butoxyethanol 126.3
    propionic acid 37.87
    o-xylene 36.51
    formic acid 19.35
    diethyl ether 56.72
    m-xylene 33.55
    p-xylene 36.71
    chlorobenzene 47.73
    dimethyl carbonate 16.7
    n-octane 1.85
    formamide 31.45
    cyclopentanone 176.88
    2-pentanone 93.87
    anisole 71.0
    cyclopentyl methyl ether 132.29
    gamma-butyrolactone 139.06
    1-methoxy-2-propanol 141.22
    pyridine 89.63
    3-pentanone 61.93
    furfural 120.43
    n-dodecane 1.42
    diethylene glycol 57.23
    diisopropyl ether 24.3
    tert-amyl alcohol 100.95
    acetylacetone 107.41
    n-hexadecane 1.65
    acetophenone 81.62
    methyl propionate 47.77
    isopentyl acetate 95.86
    trichloroethylene 172.44
    n-nonanol 41.51
    cyclohexanol 80.22
    benzyl alcohol 65.16
    2-ethylhexanol 39.7
    isooctanol 43.71
    dipropyl ether 36.95
    1,2-dichlorobenzene 54.75
    ethyl lactate 40.79
    propylene carbonate 80.37
    n-methylformamide 38.85
    2-pentanol 50.2
    n-pentane 3.39
    1-propoxy-2-propanol 113.25
    1-methoxy-2-propyl acetate 113.95
    2-(2-methoxypropoxy) propanol 118.83
    mesitylene 22.01
    ε-caprolactone 193.41
    p-cymene 20.28
    epichlorohydrin 220.69
    1,1,1-trichloroethane 78.22
    2-aminoethanol 22.02
    morpholine-4-carbaldehyde 177.89
    sulfolane 248.22
    2,2,4-trimethylpentane 6.53
    2-methyltetrahydrofuran 223.33
    n-hexyl acetate 114.03
    isooctane 3.55
    2-(2-butoxyethoxy)ethanol 191.15
    sec-butyl acetate 74.66
    tert-butyl acetate 111.73
    decalin 8.92
    glycerin 21.51
    diglyme 334.7
    acrylic acid 23.82
    isopropyl myristate 33.97
    n-butyric acid 95.02
    acetyl acetate 39.19
    di(2-ethylhexyl) phthalate 39.76
    ethyl propionate 59.01
    nitromethane 75.29
    1,2-diethoxyethane 149.37
    benzonitrile 42.27
    trioctyl phosphate 27.25
    1-bromopropane 57.22
    gamma-valerolactone 286.37
    n-decanol 25.95
    triethyl phosphate 35.2
    4-methyl-2-pentanol 41.49
    propionitrile 21.07
    vinylene carbonate 55.48
    1,1,2-trichlorotrifluoroethane 138.5
    DMS 49.43
    cumene 25.26
    2-octanol 33.15
    2-hexanone 100.35
    octyl acetate 45.87
    limonene 33.44
    1,2-dimethoxyethane 216.52
    ethyl orthosilicate 40.92
    tributyl phosphate 32.09
    diacetone alcohol 147.19
    N,N-dimethylaniline 57.15
    acrylonitrile 20.33
    aniline 46.52
    1,3-propanediol 52.18
    bromobenzene 47.57
    dibromomethane 87.9
    1,1,2,2-tetrachloroethane 170.41
    2-methyl-cyclohexyl acetate 75.27
    tetrabutyl urea 49.38
    diisobutyl methanol 26.43
    2-phenylethanol 61.46
    styrene 32.14
    dioctyl adipate 62.09
    dimethyl sulfate 38.74
    ethyl butyrate 62.25
    methyl lactate 34.19
    butyl lactate 82.92
    diethyl carbonate 32.65
    propanediol butyl ether 108.8
    triethyl orthoformate 55.78
    p-tert-butyltoluene 19.92
    methyl 4-tert-butylbenzoate 96.65
    morpholine 209.33
    tert-butylamine 41.62
    n-dodecanol 16.59
    dimethoxymethane 95.21
    ethylene carbonate 50.22
    cyrene 116.47
    2-ethoxyethyl acetate 142.64
    2-ethylhexyl acetate 73.02
    1,2,4-trichlorobenzene 67.01
    4-methylpyridine 94.06
    dibutyl ether 51.68
    2,6-dimethyl-4-heptanol 26.43
    DEF 113.95
    dimethyl isosorbide 207.63
    tetrachloroethylene 105.79
    eugenol 92.0
    triacetin 105.8
    span 80 102.85
    1,4-butanediol 25.34
    1,1-dichloroethane 74.03
    2-methyl-1-pentanol 93.92
    methyl formate 23.0
    2-methyl-1-butanol 75.85
    n-decane 3.22
    butyronitrile 34.52
    3,7-dimethyl-1-octanol 45.5
    1-chlorooctane 22.39
    1-chlorotetradecane 6.35
    n-nonane 2.77
    undecane 2.01
    tert-butylcyclohexane 7.5
    cyclooctane 3.47
    cyclopentanol 70.17
    tetrahydropyran 171.91
    tert-amyl methyl ether 89.54
    2,5,8-trioxanonane 194.9
    1-hexene 24.84
    2-isopropoxyethanol 124.76
    2,2,2-trifluoroethanol 18.87
    methyl butyrate 91.7

    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