Hexadec-2-enoic acid

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  • Identifiers

    CAS number
    629-56-1

    Molecular formula
    C16H30O2

    SMILES
    CCCCCCCCCCCCCC=CC(=O)O

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Fatty 87.16%
    Waxy 65.77%
    Oily 52.0%
    Dairy 42.85%
    Milky 36.07%
    Citrus 32.31%
    Creamy 31.84%
    Green 29.97%
    Meaty 28.94%
    Buttery 25.59%

     

    Flavor
    Fatty 58.55%
    Waxy 56.75%
    Fat 37.79%
    Sweet 33.71%
    Oily 32.92%
    Fruity 31.91%
    Mild 30.0%
    Soapy 29.0%
    Creamy 28.84%
    Coconut 28.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    6.98 (neutral)

    Molecular weight
    254.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    346°C

    Flash point

    • 181.47 ˚C est.

  • Synonyms

    • 2-hexadecenoic acid
    • hexadec-2-enoic acid
    • 629-56-1
    • 2t-Hexadecenoic acid
    • DTXSID001347916
    • hexadecaenoic acid
    • ZVRMGCSSSYZGSM-UHFFFAOYSA-N
    • AKOS028110148
    • PD118471
    • DB-054346

  • Applications

    Hexadec-2-enoic acid (CAS 629-56-1) is a monounsaturated fatty acid that serves as a versatile feedstock in industrial synthesis, typically used as an intermediate to prepare esters and other derivatives; it acts as a precursor for oleochemical surfactants and lubricants; it can function as a building block or comonomer in polymers, polyesters, and coating resins; in cosmetics and personal care, it provides fatty-acid–derived ingredients and emollient esters; in cleaning formulations, it serves as a surfactant precursor and lubricant component, and it is used as a resin modifier in adhesives and coatings, within formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 240.99
    methanol 158.96
    isopropanol 259.77
    water 0.0
    ethyl acetate 231.29
    n-propanol 227.02
    acetone 244.78
    n-butanol 232.19
    acetonitrile 54.23
    DMF 416.93
    toluene 94.2
    isobutanol 203.31
    1,4-dioxane 250.59
    methyl acetate 127.35
    THF 1084.37
    2-butanone 292.67
    n-pentanol 209.42
    sec-butanol 237.72
    n-hexane 102.87
    ethylene glycol 7.57
    NMP 569.95
    cyclohexane 126.59
    DMSO 658.24
    n-butyl acetate 396.35
    n-octanol 110.08
    chloroform 339.83
    n-propyl acetate 323.21
    acetic acid 71.16
    dichloromethane 367.1
    cyclohexanone 638.97
    propylene glycol 39.45
    isopropyl acetate 265.89
    DMAc 454.35
    2-ethoxyethanol 262.16
    isopentanol 282.5
    n-heptane 57.51
    ethyl formate 93.08
    1,2-dichloroethane 396.29
    n-hexanol 211.61
    2-methoxyethanol 299.11
    isobutyl acetate 243.39
    tetrachloromethane 89.95
    n-pentyl acetate 324.38
    transcutol 950.71
    n-heptanol 120.18
    ethylbenzene 87.06
    MIBK 332.57
    2-propoxyethanol 344.45
    tert-butanol 369.24
    MTBE 432.12
    2-butoxyethanol 256.47
    propionic acid 103.8
    o-xylene 85.81
    formic acid 12.94
    diethyl ether 318.68
    m-xylene 98.13
    p-xylene 109.87
    chlorobenzene 132.21
    dimethyl carbonate 43.68
    n-octane 21.89
    formamide 29.12
    cyclopentanone 684.95
    2-pentanone 370.42
    anisole 166.92
    cyclopentyl methyl ether 540.84
    gamma-butyrolactone 485.34
    1-methoxy-2-propanol 378.04
    pyridine 235.04
    3-pentanone 211.9
    furfural 303.42
    n-dodecane 11.97
    diethylene glycol 113.33
    diisopropyl ether 153.43
    tert-amyl alcohol 333.73
    acetylacetone 308.08
    n-hexadecane 14.38
    acetophenone 193.78
    methyl propionate 174.45
    isopentyl acetate 404.93
    trichloroethylene 491.02
    n-nonanol 109.65
    cyclohexanol 289.07
    benzyl alcohol 118.31
    2-ethylhexanol 176.18
    isooctanol 132.67
    dipropyl ether 333.75
    1,2-dichlorobenzene 158.33
    ethyl lactate 108.77
    propylene carbonate 248.55
    n-methylformamide 105.04
    2-pentanol 222.39
    n-pentane 56.57
    1-propoxy-2-propanol 370.21
    1-methoxy-2-propyl acetate 331.41
    2-(2-methoxypropoxy) propanol 208.5
    mesitylene 84.43
    ε-caprolactone 459.27
    p-cymene 73.29
    epichlorohydrin 604.13
    1,1,1-trichloroethane 317.87
    2-aminoethanol 53.82
    morpholine-4-carbaldehyde 394.22
    sulfolane 917.95
    2,2,4-trimethylpentane 36.09
    2-methyltetrahydrofuran 708.48
    n-hexyl acetate 330.42
    isooctane 31.28
    2-(2-butoxyethoxy)ethanol 316.81
    sec-butyl acetate 270.71
    tert-butyl acetate 394.36
    decalin 58.61
    glycerin 48.6
    diglyme 581.46
    acrylic acid 50.3
    isopropyl myristate 124.79
    n-butyric acid 270.37
    acetyl acetate 100.26
    di(2-ethylhexyl) phthalate 88.42
    ethyl propionate 233.03
    nitromethane 135.6
    1,2-diethoxyethane 447.18
    benzonitrile 125.19
    trioctyl phosphate 76.07
    1-bromopropane 317.88
    gamma-valerolactone 683.26
    n-decanol 77.89
    triethyl phosphate 118.77
    4-methyl-2-pentanol 163.69
    propionitrile 93.45
    vinylene carbonate 146.02
    1,1,2-trichlorotrifluoroethane 322.41
    DMS 131.38
    cumene 76.86
    2-octanol 103.89
    2-hexanone 367.92
    octyl acetate 143.73
    limonene 143.76
    1,2-dimethoxyethane 498.55
    ethyl orthosilicate 128.22
    tributyl phosphate 101.42
    diacetone alcohol 390.81
    N,N-dimethylaniline 145.6
    acrylonitrile 80.78
    aniline 111.33
    1,3-propanediol 117.25
    bromobenzene 150.83
    dibromomethane 290.23
    1,1,2,2-tetrachloroethane 555.86
    2-methyl-cyclohexyl acetate 256.19
    tetrabutyl urea 148.62
    diisobutyl methanol 128.04
    2-phenylethanol 141.93
    styrene 95.59
    dioctyl adipate 173.8
    dimethyl sulfate 113.46
    ethyl butyrate 286.73
    methyl lactate 87.18
    butyl lactate 205.61
    diethyl carbonate 129.39
    propanediol butyl ether 197.99
    triethyl orthoformate 216.91
    p-tert-butyltoluene 76.92
    methyl 4-tert-butylbenzoate 204.24
    morpholine 498.41
    tert-butylamine 270.16
    n-dodecanol 56.44
    dimethoxymethane 261.81
    ethylene carbonate 142.33
    cyrene 200.22
    2-ethoxyethyl acetate 290.27
    2-ethylhexyl acetate 322.66
    1,2,4-trichlorobenzene 185.36
    4-methylpyridine 264.44
    dibutyl ether 278.26
    2,6-dimethyl-4-heptanol 128.04
    DEF 383.62
    dimethyl isosorbide 441.41
    tetrachloroethylene 308.71
    eugenol 171.29
    triacetin 238.34
    span 80 205.99
    1,4-butanediol 44.12
    1,1-dichloroethane 303.71
    2-methyl-1-pentanol 216.38
    methyl formate 50.77
    2-methyl-1-butanol 230.71
    n-decane 26.4
    butyronitrile 167.22
    3,7-dimethyl-1-octanol 143.89
    1-chlorooctane 119.95
    1-chlorotetradecane 39.34
    n-nonane 26.8
    undecane 16.87
    tert-butylcyclohexane 55.24
    cyclooctane 37.5
    cyclopentanol 302.41
    tetrahydropyran 590.27
    tert-amyl methyl ether 333.43
    2,5,8-trioxanonane 344.15
    1-hexene 240.25
    2-isopropoxyethanol 248.34
    2,2,2-trifluoroethanol 22.18
    methyl butyrate 335.1

    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