2-Decyl-3-hydroxytetradecanoic acid

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  • Identifiers

    CAS number
    94071-21-3

    Molecular formula
    C24H48O3

    SMILES
    CCCCCCCCCCCC(C(CCCCCCCCCC)C(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 63.7%
    Fatty 53.05%
    Oily 50.27%
    Woody 33.13%
    Odorless 30.54%
    Citrus 27.99%
    Balsamic 26.54%
    Fresh 25.7%
    Milky 24.81%
    Floral 24.7%

     

    Flavor
    Fatty 38.9%
    Mild 38.36%
    Bland 37.16%
    Waxy 36.29%
    Odorless 33.04%
    Faint 30.44%
    Fat 25.41%
    Oily 24.49%
    Slightly waxy 24.21%
    Bay oil 22.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.0

    pKa est.
    6.04 (neutral)

    Molecular weight
    384.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    461°C

    Flash point

    • 207.0 ˚C est.

  • Synonyms

    • 2-Decyl-3-hydroxytetradecanoic acid
    • 94071-21-3
    • EINECS 301-822-5
    • DTXSID90916585
    • RefChem:86670
    • DTXCID701345547
    • 301-822-5
    • SCHEMBL5063151
    • NRUVALJAGRJLKU-UHFFFAOYSA-N
    • NS00063933
    • 94071-21-3

  • Applications

    2-Decyl-3-hydroxytetradecanoic acid (CAS 94071-21-3) is a branched hydroxy fatty acid with a hydroxyl group at position 3, serving as a versatile building block in specialty chemistry. In cosmetics and personal care, it may function as an emollient and as a precursor for ester derivatives used in formulations. In polymers and plastics, it can be used as a monomer or plasticizer precursor for bio-based polyesters and related materials. In surfactants and cleaners, it is evaluated as a potential nonionic surfactant and a rheology modifier. In coatings and inks, it may act as a bio-based additive or a crosslinking agent in polyester systems. In industrial manufacturing, it can provide lubricity or stabilization benefits in specialized formulations, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.14
    methanol 38.42
    isopropanol 44.66
    water 0.07
    ethyl acetate 124.03
    n-propanol 50.48
    acetone 115.41
    n-butanol 55.4
    acetonitrile 24.11
    DMF 239.51
    toluene 57.55
    isobutanol 53.99
    1,4-dioxane 162.74
    methyl acetate 85.01
    THF 718.01
    2-butanone 146.66
    n-pentanol 46.43
    sec-butanol 61.22
    n-hexane 18.12
    ethylene glycol 4.01
    NMP 725.48
    cyclohexane 81.2
    DMSO 409.72
    n-butyl acetate 177.52
    n-octanol 67.06
    chloroform 296.48
    n-propyl acetate 176.85
    acetic acid 70.04
    dichloromethane 301.33
    cyclohexanone 544.05
    propylene glycol 15.54
    isopropyl acetate 153.36
    DMAc 459.13
    2-ethoxyethanol 100.77
    isopentanol 78.17
    n-heptane 17.22
    ethyl formate 65.97
    1,2-dichloroethane 261.56
    n-hexanol 48.67
    2-methoxyethanol 117.62
    isobutyl acetate 134.71
    tetrachloromethane 99.71
    n-pentyl acetate 320.5
    transcutol 566.63
    n-heptanol 66.67
    ethylbenzene 48.95
    MIBK 175.86
    2-propoxyethanol 124.83
    tert-butanol 102.27
    MTBE 130.56
    2-butoxyethanol 175.31
    propionic acid 75.43
    o-xylene 64.84
    formic acid 16.63
    diethyl ether 83.3
    m-xylene 55.21
    p-xylene 71.06
    chlorobenzene 108.2
    dimethyl carbonate 51.34
    n-octane 10.24
    formamide 36.06
    cyclopentanone 601.35
    2-pentanone 169.04
    anisole 95.54
    cyclopentyl methyl ether 321.25
    gamma-butyrolactone 518.85
    1-methoxy-2-propanol 148.18
    pyridine 169.37
    3-pentanone 142.26
    furfural 296.88
    n-dodecane 5.35
    diethylene glycol 48.58
    diisopropyl ether 54.76
    tert-amyl alcohol 115.97
    acetylacetone 231.03
    n-hexadecane 6.51
    acetophenone 153.95
    methyl propionate 117.87
    isopentyl acetate 206.65
    trichloroethylene 413.13
    n-nonanol 69.91
    cyclohexanol 152.38
    benzyl alcohol 67.83
    2-ethylhexanol 59.68
    isooctanol 77.36
    dipropyl ether 113.82
    1,2-dichlorobenzene 145.89
    ethyl lactate 83.43
    propylene carbonate 282.81
    n-methylformamide 75.58
    2-pentanol 55.75
    n-pentane 11.24
    1-propoxy-2-propanol 152.74
    1-methoxy-2-propyl acetate 205.34
    2-(2-methoxypropoxy) propanol 152.41
    mesitylene 49.28
    ε-caprolactone 472.39
    p-cymene 46.39
    epichlorohydrin 434.64
    1,1,1-trichloroethane 295.59
    2-aminoethanol 18.15
    morpholine-4-carbaldehyde 358.0
    sulfolane 1128.43
    2,2,4-trimethylpentane 18.2
    2-methyltetrahydrofuran 420.75
    n-hexyl acetate 275.07
    isooctane 10.73
    2-(2-butoxyethoxy)ethanol 214.17
    sec-butyl acetate 153.93
    tert-butyl acetate 262.78
    decalin 32.1
    glycerin 30.85
    diglyme 441.54
    acrylic acid 51.14
    isopropyl myristate 89.39
    n-butyric acid 170.32
    acetyl acetate 91.97
    di(2-ethylhexyl) phthalate 77.18
    ethyl propionate 148.93
    nitromethane 141.69
    1,2-diethoxyethane 213.04
    benzonitrile 78.74
    trioctyl phosphate 63.17
    1-bromopropane 131.46
    gamma-valerolactone 655.62
    n-decanol 43.01
    triethyl phosphate 105.51
    4-methyl-2-pentanol 53.35
    propionitrile 37.16
    vinylene carbonate 182.91
    1,1,2-trichlorotrifluoroethane 313.44
    DMS 131.2
    cumene 42.28
    2-octanol 65.65
    2-hexanone 166.84
    octyl acetate 112.82
    limonene 91.18
    1,2-dimethoxyethane 243.11
    ethyl orthosilicate 105.51
    tributyl phosphate 80.55
    diacetone alcohol 262.96
    N,N-dimethylaniline 90.63
    acrylonitrile 40.0
    aniline 69.37
    1,3-propanediol 43.84
    bromobenzene 121.82
    dibromomethane 198.44
    1,1,2,2-tetrachloroethane 458.36
    2-methyl-cyclohexyl acetate 188.06
    tetrabutyl urea 133.18
    diisobutyl methanol 52.64
    2-phenylethanol 69.22
    styrene 51.49
    dioctyl adipate 157.86
    dimethyl sulfate 161.8
    ethyl butyrate 172.42
    methyl lactate 77.6
    butyl lactate 209.24
    diethyl carbonate 88.97
    propanediol butyl ether 145.91
    triethyl orthoformate 153.78
    p-tert-butyltoluene 48.06
    methyl 4-tert-butylbenzoate 226.8
    morpholine 261.85
    tert-butylamine 69.23
    n-dodecanol 28.5
    dimethoxymethane 139.89
    ethylene carbonate 171.42
    cyrene 182.54
    2-ethoxyethyl acetate 289.49
    2-ethylhexyl acetate 174.66
    1,2,4-trichlorobenzene 182.3
    4-methylpyridine 159.57
    dibutyl ether 134.86
    2,6-dimethyl-4-heptanol 52.64
    DEF 246.21
    dimethyl isosorbide 381.22
    tetrachloroethylene 289.7
    eugenol 161.15
    triacetin 270.91
    span 80 161.89
    1,4-butanediol 18.04
    1,1-dichloroethane 193.62
    2-methyl-1-pentanol 65.13
    methyl formate 51.08
    2-methyl-1-butanol 70.57
    n-decane 13.18
    butyronitrile 52.13
    3,7-dimethyl-1-octanol 73.19
    1-chlorooctane 71.14
    1-chlorotetradecane 19.63
    n-nonane 12.95
    undecane 7.78
    tert-butylcyclohexane 23.92
    cyclooctane 21.18
    cyclopentanol 171.76
    tetrahydropyran 310.11
    tert-amyl methyl ether 139.66
    2,5,8-trioxanonane 249.17
    1-hexene 44.0
    2-isopropoxyethanol 99.85
    2,2,2-trifluoroethanol 43.86
    methyl butyrate 221.79

    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