Valeric acid, octadecyl ester

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C23H46O2

    SMILES
    CCCCCCCCCCCCCCCCCCOC(=O)CCCC

  • Odor profile

    Waxy 72.44%
    Fatty 69.13%
    Oily 63.1%
    Fruity 32.32%
    Odorless 31.57%
    Creamy 31.01%
    Sweet 29.67%
    Dairy 23.98%
    Soapy 21.49%
    Milky 21.25%

    Scent© AI

  • Properties

    XLogP3-AA
    10.2

    Molecular weight
    354.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    406°C

    Flash point est.
    182.79 ˚C

  • Synonyms

    • 6-Octadecenyl valerate
    • WE(18:1(6)/5:0)
    • Octadecyl pentanoate
    • Valeric acid, octadecyl ester
    • Octadecyl pentanoate #
    • SCHEMBL21044666
    • VPKUWBRGYWLQAA-UHFFFAOYSA-N
    • LMFA07010559

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.47
    methanol 33.2
    isopropanol 44.85
    water 0.06
    ethyl acetate 429.4
    n-propanol 53.5
    acetone 214.6
    n-butanol 77.5
    acetonitrile 88.84
    DMF 318.32
    toluene 171.33
    isobutanol 69.37
    1,4-dioxane 377.69
    methyl acetate 232.29
    THF 941.84
    2-butanone 336.55
    n-pentanol 67.12
    sec-butanol 85.72
    n-hexane 59.46
    ethylene glycol 3.02
    NMP 993.42
    cyclohexane 379.92
    DMSO 371.74
    n-butyl acetate 548.85
    n-octanol 135.16
    chloroform 1200.66
    n-propyl acetate 586.17
    acetic acid 96.83
    dichloromethane 1289.71
    cyclohexanone 1317.27
    propylene glycol 9.88
    isopropyl acetate 456.24
    DMAc 701.51
    2-ethoxyethanol 139.69
    isopentanol 125.06
    n-heptane 75.11
    ethyl formate 165.79
    1,2-dichloroethane 865.69
    n-hexanol 71.8
    2-methoxyethanol 125.83
    isobutyl acetate 398.31
    tetrachloromethane 347.39
    n-pentyl acetate 916.86
    transcutol 901.17
    n-heptanol 106.87
    ethylbenzene 147.58
    MIBK 444.84
    2-propoxyethanol 159.63
    tert-butanol 118.53
    MTBE 288.09
    2-butoxyethanol 271.35
    propionic acid 113.74
    o-xylene 179.54
    formic acid 16.17
    diethyl ether 223.19
    m-xylene 145.18
    p-xylene 251.85
    chlorobenzene 391.23
    dimethyl carbonate 90.91
    n-octane 40.23
    formamide 40.04
    cyclopentanone 1075.52
    2-pentanone 416.01
    anisole 302.8
    cyclopentyl methyl ether 634.1
    gamma-butyrolactone 940.77
    1-methoxy-2-propanol 155.23
    pyridine 495.36
    3-pentanone 367.49
    furfural 615.31
    n-dodecane 19.74
    diethylene glycol 49.48
    diisopropyl ether 156.62
    tert-amyl alcohol 172.45
    acetylacetone 535.21
    n-hexadecane 25.47
    acetophenone 423.3
    methyl propionate 270.05
    isopentyl acetate 559.98
    trichloroethylene 1404.95
    n-nonanol 142.48
    cyclohexanol 285.66
    benzyl alcohol 140.32
    2-ethylhexanol 131.01
    isooctanol 131.49
    dipropyl ether 355.02
    1,2-dichlorobenzene 545.46
    ethyl lactate 157.24
    propylene carbonate 580.47
    n-methylformamide 104.05
    2-pentanol 86.49
    n-pentane 34.42
    1-propoxy-2-propanol 231.2
    1-methoxy-2-propyl acetate 420.36
    2-(2-methoxypropoxy) propanol 249.74
    mesitylene 136.53
    ε-caprolactone 1089.66
    p-cymene 145.65
    epichlorohydrin 958.26
    1,1,1-trichloroethane 1082.17
    2-aminoethanol 14.39
    morpholine-4-carbaldehyde 620.83
    sulfolane 1486.39
    2,2,4-trimethylpentane 45.04
    2-methyltetrahydrofuran 825.24
    n-hexyl acetate 744.92
    isooctane 25.62
    2-(2-butoxyethoxy)ethanol 330.91
    sec-butyl acetate 485.95
    tert-butyl acetate 630.26
    decalin 113.47
    glycerin 19.86
    diglyme 913.82
    acrylic acid 73.94
    isopropyl myristate 243.44
    n-butyric acid 319.25
    acetyl acetate 301.66
    di(2-ethylhexyl) phthalate 159.83
    ethyl propionate 487.11
    nitromethane 282.62
    1,2-diethoxyethane 586.87
    benzonitrile 251.02
    trioctyl phosphate 129.57
    1-bromopropane 497.95
    gamma-valerolactone 1274.32
    n-decanol 88.16
    triethyl phosphate 299.73
    4-methyl-2-pentanol 83.93
    propionitrile 125.67
    vinylene carbonate 428.55
    1,1,2-trichlorotrifluoroethane 518.92
    DMS 307.98
    cumene 119.77
    2-octanol 128.9
    2-hexanone 444.5
    octyl acetate 284.48
    limonene 296.5
    1,2-dimethoxyethane 588.93
    ethyl orthosilicate 302.4
    tributyl phosphate 187.39
    diacetone alcohol 392.52
    N,N-dimethylaniline 225.45
    acrylonitrile 120.71
    aniline 154.44
    1,3-propanediol 36.54
    bromobenzene 501.24
    dibromomethane 844.89
    1,1,2,2-tetrachloroethane 1395.93
    2-methyl-cyclohexyl acetate 496.45
    tetrabutyl urea 301.45
    diisobutyl methanol 128.34
    2-phenylethanol 134.71
    styrene 174.06
    dioctyl adipate 386.44
    dimethyl sulfate 225.92
    ethyl butyrate 619.9
    methyl lactate 94.16
    butyl lactate 402.3
    diethyl carbonate 317.89
    propanediol butyl ether 184.81
    triethyl orthoformate 478.86
    p-tert-butyltoluene 131.12
    methyl 4-tert-butylbenzoate 481.61
    morpholine 485.99
    tert-butylamine 94.43
    n-dodecanol 62.12
    dimethoxymethane 210.68
    ethylene carbonate 415.26
    cyrene 285.69
    2-ethoxyethyl acetate 720.39
    2-ethylhexyl acetate 533.74
    1,2,4-trichlorobenzene 611.07
    4-methylpyridine 508.36
    dibutyl ether 510.38
    2,6-dimethyl-4-heptanol 128.34
    DEF 589.12
    dimethyl isosorbide 637.93
    tetrachloroethylene 893.17
    eugenol 314.97
    triacetin 658.3
    span 80 270.01
    1,4-butanediol 19.01
    1,1-dichloroethane 679.01
    2-methyl-1-pentanol 109.97
    methyl formate 78.99
    2-methyl-1-butanol 110.55
    n-decane 51.59
    butyronitrile 177.0
    3,7-dimethyl-1-octanol 158.54
    1-chlorooctane 238.07
    1-chlorotetradecane 67.76
    n-nonane 51.31
    undecane 29.1
    tert-butylcyclohexane 74.02
    cyclooctane 89.57
    cyclopentanol 245.35
    tetrahydropyran 713.62
    tert-amyl methyl ether 315.35
    2,5,8-trioxanonane 463.96
    1-hexene 126.03
    2-isopropoxyethanol 152.33
    2,2,2-trifluoroethanol 63.04
    methyl butyrate 711.98

    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
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%