Methyl-3-hydroxydodec-5-enoic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    72864-23-4

    Molecular formula
    C13H26O3

    SMILES
    CCCCCCCCCC(CC(=O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 65.59%
    Fatty 62.94%
    Fruity 62.85%
    Waxy 56.99%
    Floral 52.58%
    Sweet 41.75%
    Winey 40.83%
    Fresh 38.6%
    Citrus 37.4%
    Rose 34.18%

     

    Flavor
    Waxy 54.07%
    Oily 48.31%
    Fatty 42.8%
    Floral 40.5%
    Fruity 39.69%
    Soapy 36.32%
    Mild 33.3%
    Green 32.5%
    Mushroom 29.46%
    Creamy 29.22%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.48 (neutral)

    Molecular weight
    230.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 127.66 ˚C est.

  • Synonyms

    • 72864-23-4
    • Methyl-3-hydroxydodec-5-enoic acid
    • Dodecanoic acid, 3-hydroxy-, methyl ester
    • RefChem:925754
    • Methyl 3-hydroxydodecanoate
    • 85464-97-7
    • 3-hydroxydodecanoic acid methyl ester
    • METHYL3-HYDROXYDODECANOATE
    • MFCD00133280
    • Dodecanoic acid, 3-hydroxy-, methyl ester, (A+/-)-
    • Dodecanoic acid, 3-hydroxy-, methyl ester, (? inverted exclamation markA)-
    • Methyl-3-hydroxydodec-5-enoate
    • Dodecanoic acid, 3-hydroxy-, methyl ester, (+/-)-
    • orb2282996
    • SCHEMBL1427064
    • DTXSID50993650
    • 3-hydroxy Lauric Acid methyl ester
    • 3-hydroxydodecanoic acid methylester
    • AKOS037655794
    • 3-Hydroxydodecanoic acid, methyl ester
    • AT49428
    • HY-W704598
    • SS-4999
    • beta-hydroxydodecanoic acid methyl ester
    • BP-29859
    • Dodecanoic acid, 3-hydroxy, methyl ester
    • PD078190
    • 3-Hydroxydodecanoic Acid Methyl Ester (solution in ethanol)
    • 72864-23-4

  • Applications

    Methyl-3-hydroxydodec-5-enoic acid, CAS 72864-23-4, is a hydroxy fatty‑acid derivative that serves as a versatile building block in industrial manufacturing; it may be used as an intermediate to synthesize hydroxy‑functional esters for polymers and coatings, including roles as a reactive monomer or plasticizer precursor in polyester and polyurethane formulations, and it can be employed to prepare hydroxy‑functional surfactants for cleaning and household products. In cosmetics and personal care, it may be evaluated as a skin‑conditioning ester or as a precursor for specialty ester derivatives. In coatings and inks, it can act as a reactive modifier for bio‑based resins, improving adhesion and flexibility. In general process chemistry, it offers utility as a starting material for the preparation of other functional materials, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1775.39
    methanol 2164.55
    isopropanol 1809.06
    water 0.06
    ethyl acetate 1099.86
    n-propanol 1364.94
    acetone 2635.63
    n-butanol 1100.76
    acetonitrile 777.57
    DMF 1941.17
    toluene 264.95
    isobutanol 1047.49
    1,4-dioxane 1663.55
    methyl acetate 769.78
    THF 3390.25
    2-butanone 1354.35
    n-pentanol 733.69
    sec-butanol 1157.47
    n-hexane 97.62
    ethylene glycol 140.82
    NMP 1285.91
    cyclohexane 194.1
    DMSO 3645.97
    n-butyl acetate 709.49
    n-octanol 211.42
    chloroform 1716.52
    n-propyl acetate 798.82
    acetic acid 901.17
    dichloromethane 1483.67
    cyclohexanone 2180.79
    propylene glycol 433.19
    isopropyl acetate 736.37
    DMAc 1151.73
    2-ethoxyethanol 1000.16
    isopentanol 992.54
    n-heptane 36.46
    ethyl formate 572.4
    1,2-dichloroethane 1297.48
    n-hexanol 579.67
    2-methoxyethanol 1810.81
    isobutyl acetate 481.09
    tetrachloromethane 244.07
    n-pentyl acetate 431.11
    transcutol 2418.14
    n-heptanol 211.41
    ethylbenzene 164.19
    MIBK 739.64
    2-propoxyethanol 882.83
    tert-butanol 2132.64
    MTBE 1234.63
    2-butoxyethanol 495.49
    propionic acid 774.76
    o-xylene 200.38
    formic acid 189.01
    diethyl ether 1095.57
    m-xylene 216.97
    p-xylene 225.55
    chlorobenzene 423.77
    dimethyl carbonate 183.13
    n-octane 14.89
    formamide 331.31
    cyclopentanone 2157.61
    2-pentanone 1231.73
    anisole 362.24
    cyclopentyl methyl ether 1264.39
    gamma-butyrolactone 1922.16
    1-methoxy-2-propanol 1472.95
    pyridine 1044.2
    3-pentanone 667.14
    furfural 1134.73
    n-dodecane 10.83
    diethylene glycol 553.24
    diisopropyl ether 244.23
    tert-amyl alcohol 1262.42
    acetylacetone 1110.08
    n-hexadecane 13.01
    acetophenone 382.09
    methyl propionate 693.97
    isopentyl acetate 621.85
    trichloroethylene 1867.61
    n-nonanol 180.83
    cyclohexanol 1154.86
    benzyl alcohol 353.4
    2-ethylhexanol 322.15
    isooctanol 193.05
    dipropyl ether 401.16
    1,2-dichlorobenzene 400.55
    ethyl lactate 290.56
    propylene carbonate 863.71
    n-methylformamide 805.21
    2-pentanol 754.95
    n-pentane 58.57
    1-propoxy-2-propanol 708.66
    1-methoxy-2-propyl acetate 597.75
    2-(2-methoxypropoxy) propanol 428.11
    mesitylene 152.57
    ε-caprolactone 1382.57
    p-cymene 102.12
    epichlorohydrin 1984.13
    1,1,1-trichloroethane 1117.59
    2-aminoethanol 526.75
    morpholine-4-carbaldehyde 1189.74
    sulfolane 2387.65
    2,2,4-trimethylpentane 37.3
    2-methyltetrahydrofuran 2042.03
    n-hexyl acetate 528.12
    isooctane 29.12
    2-(2-butoxyethoxy)ethanol 642.38
    sec-butyl acetate 485.67
    tert-butyl acetate 803.63
    decalin 67.39
    glycerin 454.13
    diglyme 1231.24
    acrylic acid 434.02
    isopropyl myristate 168.66
    n-butyric acid 1407.93
    acetyl acetate 496.12
    di(2-ethylhexyl) phthalate 161.54
    ethyl propionate 582.83
    nitromethane 1484.48
    1,2-diethoxyethane 677.73
    benzonitrile 467.65
    trioctyl phosphate 124.67
    1-bromopropane 771.7
    gamma-valerolactone 2384.54
    n-decanol 119.55
    triethyl phosphate 188.41
    4-methyl-2-pentanol 371.72
    propionitrile 705.68
    vinylene carbonate 630.02
    1,1,2-trichlorotrifluoroethane 1240.85
    DMS 316.76
    cumene 118.11
    2-octanol 155.74
    2-hexanone 847.59
    octyl acetate 212.93
    limonene 203.33
    1,2-dimethoxyethane 1672.55
    ethyl orthosilicate 184.71
    tributyl phosphate 171.5
    diacetone alcohol 950.8
    N,N-dimethylaniline 237.09
    acrylonitrile 691.73
    aniline 450.38
    1,3-propanediol 947.28
    bromobenzene 423.19
    dibromomethane 1054.57
    1,1,2,2-tetrachloroethane 1841.37
    2-methyl-cyclohexyl acetate 366.2
    tetrabutyl urea 216.98
    diisobutyl methanol 175.17
    2-phenylethanol 317.94
    styrene 212.27
    dioctyl adipate 285.27
    dimethyl sulfate 388.0
    ethyl butyrate 456.54
    methyl lactate 358.52
    butyl lactate 364.45
    diethyl carbonate 265.01
    propanediol butyl ether 514.14
    triethyl orthoformate 302.57
    p-tert-butyltoluene 104.62
    methyl 4-tert-butylbenzoate 339.82
    morpholine 2607.27
    tert-butylamine 1029.74
    n-dodecanol 85.1
    dimethoxymethane 903.49
    ethylene carbonate 612.36
    cyrene 392.09
    2-ethoxyethyl acetate 531.82
    2-ethylhexyl acetate 442.15
    1,2,4-trichlorobenzene 473.41
    4-methylpyridine 897.37
    dibutyl ether 360.39
    2,6-dimethyl-4-heptanol 175.17
    DEF 1095.32
    dimethyl isosorbide 709.78
    tetrachloroethylene 1108.32
    eugenol 319.81
    triacetin 473.15
    span 80 419.14
    1,4-butanediol 300.93
    1,1-dichloroethane 1287.66
    2-methyl-1-pentanol 564.17
    methyl formate 450.06
    2-methyl-1-butanol 811.42
    n-decane 23.19
    butyronitrile 893.12
    3,7-dimethyl-1-octanol 238.59
    1-chlorooctane 146.08
    1-chlorotetradecane 44.61
    n-nonane 22.94
    undecane 14.83
    tert-butylcyclohexane 55.84
    cyclooctane 37.89
    cyclopentanol 1384.51
    tetrahydropyran 2584.86
    tert-amyl methyl ether 664.61
    2,5,8-trioxanonane 741.33
    1-hexene 437.58
    2-isopropoxyethanol 685.16
    2,2,2-trifluoroethanol 234.17
    methyl butyrate 874.77

    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