Decanoic acid, 2-methylbutyl ester, (S)-

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  • Identifiers

    CAS number
    55195-23-8

    Molecular formula
    C15H30O2

    SMILES
    CCCCCCCCCC(=O)OC[C@@H](C)CC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 76.1%
    Oily 75.15%
    Fatty 66.48%
    Winey 61.38%
    Cognac 53.91%
    Waxy 53.33%
    Fermented 41.95%
    Floral 38.82%
    Brandy 38.57%
    Herbal 37.81%

     

    Flavor
    Fruity 62.21%
    Waxy 61.36%
    Oily 51.92%
    Green 48.07%
    Floral 41.35%
    Sweet 41.35%
    Soapy 40.61%
    Fatty 35.74%
    Herbal 33.68%
    Wine 31.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    7.55 (neutral)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    286°C

    Flash point

    • 119.59 ˚C est.

  • Synonyms

    • 5ER3NHR3T4
    • Decanoic acid, 2-methylbutyl ester, (S)-
    • 55195-23-8
    • 2-Methylbutyl decanoate, (S)-
    • RefChem:131193
    • 611-240-6
    • UNII-5ER3NHR3T4
    • (2S)-2-Methylbutyl decanoate
    • JRJPVFOFQVUVLG-AWEZNQCLSA-N
    • DTXSID601277537
    • Decanoic acid,2-methylbutyl ester,(S)-
    • 55195-23-8

  • Applications

    Decanoic acid, 2-methylbutyl ester, (S)- (CAS 55195-23-8) is principally used as a fragrance ingredient and fixative in perfumery, helping to impart a lasting aroma in perfumes and personal care products. It also commonly acts as an emollient and a light solvent in cosmetics and skin/hair care formulations. In household products, it can contribute scent and act as a solvent in cleaners and laundry formulations. In the plastics and coatings arena, it may function as a plasticizer or processing aid in certain formulations, aiding processing and film properties. Its use is formulation- and regulation-dependent, and subject to local rules and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9191.66
    methanol 6766.33
    isopropanol 9813.7
    water 0.07
    ethyl acetate 14867.77
    n-propanol 8274.78
    acetone 17141.35
    n-butanol 7902.32
    acetonitrile 8520.5
    DMF 7829.55
    toluene 4101.74
    isobutanol 6741.94
    1,4-dioxane 10199.51
    methyl acetate 8409.9
    THF 13769.95
    2-butanone 12936.7
    n-pentanol 4943.67
    sec-butanol 8511.43
    n-hexane 2523.86
    ethylene glycol 201.92
    NMP 5412.23
    cyclohexane 4310.03
    DMSO 7636.6
    n-butyl acetate 11461.06
    n-octanol 2201.2
    chloroform 14348.83
    n-propyl acetate 10091.3
    acetic acid 3831.38
    dichloromethane 14604.25
    cyclohexanone 17330.27
    propylene glycol 670.4
    isopropyl acetate 9987.08
    DMAc 6032.91
    2-ethoxyethanol 4536.0
    isopentanol 7725.33
    n-heptane 1020.7
    ethyl formate 5422.36
    1,2-dichloroethane 11987.36
    n-hexanol 4671.76
    2-methoxyethanol 6487.11
    isobutyl acetate 5471.49
    tetrachloromethane 2726.66
    n-pentyl acetate 6457.32
    transcutol 13180.23
    n-heptanol 2136.1
    ethylbenzene 2432.22
    MIBK 6594.14
    2-propoxyethanol 5146.61
    tert-butanol 10566.18
    MTBE 14883.62
    2-butoxyethanol 3459.89
    propionic acid 3809.34
    o-xylene 2356.38
    formic acid 447.52
    diethyl ether 14315.26
    m-xylene 2450.23
    p-xylene 3411.34
    chlorobenzene 5369.97
    dimethyl carbonate 1165.83
    n-octane 408.23
    formamide 1005.21
    cyclopentanone 11406.81
    2-pentanone 12828.03
    anisole 3676.92
    cyclopentyl methyl ether 8725.95
    gamma-butyrolactone 8980.55
    1-methoxy-2-propanol 5658.82
    pyridine 10615.41
    3-pentanone 6750.14
    furfural 6028.02
    n-dodecane 197.9
    diethylene glycol 1679.57
    diisopropyl ether 4058.47
    tert-amyl alcohol 8543.7
    acetylacetone 8672.26
    n-hexadecane 245.59
    acetophenone 3463.67
    methyl propionate 6324.92
    isopentyl acetate 9630.19
    trichloroethylene 16734.45
    n-nonanol 1811.85
    cyclohexanol 8206.47
    benzyl alcohol 2425.16
    2-ethylhexanol 3544.72
    isooctanol 2007.9
    dipropyl ether 6157.53
    1,2-dichlorobenzene 4348.63
    ethyl lactate 1702.05
    propylene carbonate 5455.03
    n-methylformamide 3502.9
    2-pentanol 6501.02
    n-pentane 1539.8
    1-propoxy-2-propanol 5271.12
    1-methoxy-2-propyl acetate 5610.99
    2-(2-methoxypropoxy) propanol 2272.36
    mesitylene 1547.57
    ε-caprolactone 12039.89
    p-cymene 1349.62
    epichlorohydrin 11387.02
    1,1,1-trichloroethane 11877.18
    2-aminoethanol 1020.13
    morpholine-4-carbaldehyde 5959.09
    sulfolane 7439.52
    2,2,4-trimethylpentane 615.98
    2-methyltetrahydrofuran 14701.62
    n-hexyl acetate 6760.62
    isooctane 509.33
    2-(2-butoxyethoxy)ethanol 3363.13
    sec-butyl acetate 7083.01
    tert-butyl acetate 8209.9
    decalin 1129.84
    glycerin 653.43
    diglyme 7527.42
    acrylic acid 1880.13
    isopropyl myristate 1823.28
    n-butyric acid 9899.74
    acetyl acetate 5495.06
    di(2-ethylhexyl) phthalate 1164.85
    ethyl propionate 7353.76
    nitromethane 7984.88
    1,2-diethoxyethane 8843.84
    benzonitrile 4785.87
    trioctyl phosphate 930.06
    1-bromopropane 9674.66
    gamma-valerolactone 13223.38
    n-decanol 1125.14
    triethyl phosphate 1489.33
    4-methyl-2-pentanol 3238.04
    propionitrile 7212.66
    vinylene carbonate 4258.31
    1,1,2-trichlorotrifluoroethane 4794.56
    DMS 2781.68
    cumene 1454.12
    2-octanol 1986.19
    2-hexanone 8719.43
    octyl acetate 2129.95
    limonene 2736.61
    1,2-dimethoxyethane 10887.79
    ethyl orthosilicate 1608.14
    tributyl phosphate 1349.04
    diacetone alcohol 5317.45
    N,N-dimethylaniline 2176.78
    acrylonitrile 5761.88
    aniline 3721.13
    1,3-propanediol 2719.89
    bromobenzene 6144.63
    dibromomethane 11031.46
    1,1,2,2-tetrachloroethane 13787.23
    2-methyl-cyclohexyl acetate 3345.27
    tetrabutyl urea 1625.61
    diisobutyl methanol 2026.02
    2-phenylethanol 2396.14
    styrene 3299.2
    dioctyl adipate 2267.19
    dimethyl sulfate 1509.82
    ethyl butyrate 7134.66
    methyl lactate 1406.29
    butyl lactate 2971.25
    diethyl carbonate 3075.36
    propanediol butyl ether 2366.47
    triethyl orthoformate 3584.9
    p-tert-butyltoluene 1235.75
    methyl 4-tert-butylbenzoate 2403.73
    morpholine 15023.18
    tert-butylamine 7046.41
    n-dodecanol 772.56
    dimethoxymethane 5144.94
    ethylene carbonate 4709.18
    cyrene 1541.03
    2-ethoxyethyl acetate 5642.01
    2-ethylhexyl acetate 6855.72
    1,2,4-trichlorobenzene 4425.88
    4-methylpyridine 10684.28
    dibutyl ether 6136.96
    2,6-dimethyl-4-heptanol 2026.02
    DEF 10071.32
    dimethyl isosorbide 3468.87
    tetrachloroethylene 8269.74
    eugenol 2032.37
    triacetin 3405.23
    span 80 2343.55
    1,4-butanediol 990.43
    1,1-dichloroethane 14167.11
    2-methyl-1-pentanol 4470.41
    methyl formate 2114.93
    2-methyl-1-butanol 6412.01
    n-decane 472.53
    butyronitrile 10158.38
    3,7-dimethyl-1-octanol 2424.2
    1-chlorooctane 2131.55
    1-chlorotetradecane 587.76
    n-nonane 522.98
    undecane 281.9
    tert-butylcyclohexane 923.06
    cyclooctane 896.4
    cyclopentanol 6328.85
    tetrahydropyran 19871.25
    tert-amyl methyl ether 7585.27
    2,5,8-trioxanonane 3708.77
    1-hexene 7460.81
    2-isopropoxyethanol 3809.02
    2,2,2-trifluoroethanol 810.38
    methyl butyrate 11278.54

    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