(+-)-3-Hydroxytetradecanoic acid

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  • Identifiers

    CAS number
    1961-72-4

    Molecular formula
    C14H28O3

    SMILES
    CCCCCCCCCCCC(CC(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 69.4%
    Waxy 60.53%
    Oily 49.01%
    Citrus 40.25%
    Dairy 36.3%
    Milky 35.77%
    Creamy 32.24%
    Fresh 31.56%
    Coconut 29.16%
    Odorless 28.7%

     

    Flavor
    Fatty 58.85%
    Waxy 47.27%
    Mild 37.06%
    Oily 33.7%
    Fat 33.27%
    Odorless 32.39%
    Coconut 26.65%
    Bland 26.62%
    Soapy 25.86%
    Cheese 25.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    6.18 (neutral)

    Molecular weight
    244.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Flash point

    • 176.66 ˚C est.

  • Synonyms

    • 3-HYDROXYTETRADECANOIC ACID
    • 1961-72-4
    • Tetradecanoic acid, 3-hydroxy-
    • beta-Hydroxymyristic acid
    • FL8S7F2JJQ
    • CHEBI:85148
    • DTXSID20941380
    • RefChem:905496
    • DTXCID30947373
    • (+-)-3-Hydroxytetradecanoic acid
    • 3-Hydroxymyristic acid
    • 3422-31-9
    • DL-B-HYDROXYMYRISTIC ACID
    • beta-Hydroxytetradecanoic acid
    • MFCD00059633
    • (+/-)-3-hydroxymyristic acid
    • 3-HYDROXY-TETRADECANOIC ACID
    • .beta.-Hydroxymyristic acid
    • .beta.-Hydroxytetradecanoic acid
    • CHEMBL4456892
    • (RS)-3-Hydroxytetradecanoic acid
    • (+/-)-3-Hydroxytetradecanoic acid
    • UNII-FL8S7F2JJQ
    • BRN 1725372
    • starbld0000280
    • beta-hydroxy-myristic acid
    • DL-beta-Hydroxymyristic acid
    • 3-03-00-00660 (Beilstein Handbook Reference)
    • SCHEMBL142895
    • DL- beta -Hydroxymyristic acid
    • orb2939913
    • 3-Hydroxymyristic acid (NIST)
    • SCHEMBL12482940
    • 3-Hydroxymyristic acid (racemic)
    • (3RS)-3-Hydroxytetradecanoic acid
    • BAA96172
    • BDBM50511033
    • LMFA01050175
    • AKOS027380549
    • CS-W010260
    • DL-beta-Hydroxymyristic acid, >=98%
    • HY-W009544
    • MSK159627-100M
    • SB47509
    • AS-58639
    • SY052940
    • 3-HYDROXYMYRISTIC ACID, (+/-)-
    • DB-294356
    • H0274
    • T72017
    • 715H211
    • Q27158359
    • Tetradecanoic acid, 3-hydroxy- (6CI,7CI,8CI,9CI)
    • F98D6745-6EF1-4182-BB79-6FB77737B72C
    • (+/-)-3-Hydroxytetradecanoic acid Solution in Methanol, 100ug/mL
    • Z6X
    • 1961-72-4

  • Applications

    (+-)-3-Hydroxytetradecanoic acid (CAS 1961-72-4) is a long-chain hydroxy fatty acid that serves as a building block and intermediate for several industrial applications. In cosmetics and personal care, it is used as a building block for fatty acid ester derivatives, contributing as emollients and conditioning agents. In polymers and plastics, it acts as a monomeric building block or functional modifier for polyesters and biobased polymers. In coatings and inks, it is employed as a reactive intermediate or additive to tailor film properties and durability. In surfactants and cleaning formulations, it serves as a precursor to fatty ester surfactants and surface-active components for cleaners and household products. In pharmaceuticals, it may be evaluated as a chiral building block or intermediate for enantioselective syntheses of fatty acid-derived pharmaceutical intermediates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 482.0
    methanol 472.52
    isopropanol 477.41
    water 0.04
    ethyl acetate 165.12
    n-propanol 374.02
    acetone 398.52
    n-butanol 334.24
    acetonitrile 73.36
    DMF 661.65
    toluene 57.78
    isobutanol 337.57
    1,4-dioxane 309.59
    methyl acetate 115.01
    THF 1449.8
    2-butanone 249.79
    n-pentanol 283.46
    sec-butanol 302.34
    n-hexane 73.48
    ethylene glycol 47.11
    NMP 628.63
    cyclohexane 69.64
    DMSO 1569.75
    n-butyl acetate 282.77
    n-octanol 127.79
    chloroform 249.0
    n-propyl acetate 239.14
    acetic acid 183.13
    dichloromethane 214.85
    cyclohexanone 622.62
    propylene glycol 169.75
    isopropyl acetate 205.85
    DMAc 453.18
    2-ethoxyethanol 339.64
    isopentanol 370.57
    n-heptane 33.53
    ethyl formate 108.63
    1,2-dichloroethane 259.57
    n-hexanol 285.11
    2-methoxyethanol 526.19
    isobutyl acetate 199.87
    tetrachloromethane 57.4
    n-pentyl acetate 210.69
    transcutol 950.83
    n-heptanol 138.75
    ethylbenzene 60.07
    MIBK 303.14
    2-propoxyethanol 436.36
    tert-butanol 665.95
    MTBE 338.5
    2-butoxyethanol 279.37
    propionic acid 197.31
    o-xylene 65.93
    formic acid 52.97
    diethyl ether 212.22
    m-xylene 74.69
    p-xylene 80.94
    chlorobenzene 90.69
    dimethyl carbonate 51.87
    n-octane 12.96
    formamide 84.16
    cyclopentanone 801.01
    2-pentanone 318.56
    anisole 124.05
    cyclopentyl methyl ether 503.97
    gamma-butyrolactone 647.28
    1-methoxy-2-propanol 564.59
    pyridine 191.5
    3-pentanone 170.09
    furfural 345.92
    n-dodecane 8.37
    diethylene glycol 235.15
    diisopropyl ether 104.67
    tert-amyl alcohol 416.4
    acetylacetone 328.07
    n-hexadecane 9.76
    acetophenone 155.65
    methyl propionate 150.51
    isopentyl acetate 296.48
    trichloroethylene 343.57
    n-nonanol 115.41
    cyclohexanol 385.03
    benzyl alcohol 126.76
    2-ethylhexanol 177.26
    isooctanol 136.47
    dipropyl ether 222.19
    1,2-dichlorobenzene 104.85
    ethyl lactate 124.14
    propylene carbonate 296.84
    n-methylformamide 199.74
    2-pentanol 265.83
    n-pentane 34.18
    1-propoxy-2-propanol 390.62
    1-methoxy-2-propyl acetate 274.19
    2-(2-methoxypropoxy) propanol 237.1
    mesitylene 66.38
    ε-caprolactone 438.01
    p-cymene 53.13
    epichlorohydrin 553.73
    1,1,1-trichloroethane 209.68
    2-aminoethanol 190.7
    morpholine-4-carbaldehyde 458.38
    sulfolane 1155.18
    2,2,4-trimethylpentane 24.53
    2-methyltetrahydrofuran 663.5
    n-hexyl acetate 255.51
    isooctane 21.86
    2-(2-butoxyethoxy)ethanol 348.78
    sec-butyl acetate 179.57
    tert-butyl acetate 323.16
    decalin 38.61
    glycerin 197.09
    diglyme 574.56
    acrylic acid 113.67
    isopropyl myristate 95.49
    n-butyric acid 391.36
    acetyl acetate 95.96
    di(2-ethylhexyl) phthalate 92.41
    ethyl propionate 168.07
    nitromethane 246.61
    1,2-diethoxyethane 274.77
    benzonitrile 115.01
    trioctyl phosphate 78.34
    1-bromopropane 176.62
    gamma-valerolactone 747.7
    n-decanol 81.13
    triethyl phosphate 99.64
    4-methyl-2-pentanol 189.49
    propionitrile 101.5
    vinylene carbonate 177.38
    1,1,2-trichlorotrifluoroethane 403.17
    DMS 116.36
    cumene 58.17
    2-octanol 103.56
    2-hexanone 309.61
    octyl acetate 116.88
    limonene 102.65
    1,2-dimethoxyethane 528.41
    ethyl orthosilicate 103.0
    tributyl phosphate 98.12
    diacetone alcohol 446.77
    N,N-dimethylaniline 112.25
    acrylonitrile 96.26
    aniline 106.63
    1,3-propanediol 312.35
    bromobenzene 87.18
    dibromomethane 178.11
    1,1,2,2-tetrachloroethane 396.36
    2-methyl-cyclohexyl acetate 202.55
    tetrabutyl urea 138.23
    diisobutyl methanol 109.42
    2-phenylethanol 143.45
    styrene 61.49
    dioctyl adipate 154.0
    dimethyl sulfate 153.15
    ethyl butyrate 193.49
    methyl lactate 137.54
    butyl lactate 197.0
    diethyl carbonate 99.72
    propanediol butyl ether 277.39
    triethyl orthoformate 154.79
    p-tert-butyltoluene 57.42
    methyl 4-tert-butylbenzoate 191.08
    morpholine 608.22
    tert-butylamine 395.82
    n-dodecanol 58.49
    dimethoxymethane 322.61
    ethylene carbonate 165.19
    cyrene 236.13
    2-ethoxyethyl acetate 214.92
    2-ethylhexyl acetate 219.62
    1,2,4-trichlorobenzene 129.95
    4-methylpyridine 195.37
    dibutyl ether 182.58
    2,6-dimethyl-4-heptanol 109.42
    DEF 325.19
    dimethyl isosorbide 429.03
    tetrachloroethylene 240.73
    eugenol 172.53
    triacetin 225.24
    span 80 238.69
    1,4-butanediol 118.64
    1,1-dichloroethane 198.1
    2-methyl-1-pentanol 242.59
    methyl formate 96.25
    2-methyl-1-butanol 293.08
    n-decane 17.64
    butyronitrile 170.64
    3,7-dimethyl-1-octanol 142.67
    1-chlorooctane 85.67
    1-chlorotetradecane 27.59
    n-nonane 17.68
    undecane 11.45
    tert-butylcyclohexane 37.51
    cyclooctane 21.81
    cyclopentanol 494.86
    tetrahydropyran 581.02
    tert-amyl methyl ether 245.54
    2,5,8-trioxanonane 383.16
    1-hexene 196.37
    2-isopropoxyethanol 291.94
    2,2,2-trifluoroethanol 60.28
    methyl butyrate 257.14

    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