9-Hexadecenoic acid

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  • Identifiers

    CAS number
    2091-29-4

    Molecular formula
    C16H30O2

    SMILES
    CCCCCCC=CCCCCCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 84.93%
    Waxy 68.51%
    Oily 55.06%
    Dairy 36.82%
    Creamy 30.86%
    Milky 29.55%
    Meaty 26.05%
    Citrus 25.25%
    Soapy 23.69%
    Savory 23.03%

     

    Flavor
    Fatty 55.93%
    Waxy 43.78%
    Faint 32.87%
    Fat 30.3%
    Mild 26.45%
    Oily 25.54%
    Slightly waxy 24.44%
    Bay oil 23.12%
    Creamy 22.05%
    Soapy 22.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    7.13 (neutral)

    Molecular weight
    254.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Flash point

    • 180.67 ˚C est.

  • Synonyms

    • 9-HEXADECENOIC ACID
    • 2091-29-4
    • DTXSID5041564
    • RefChem:1074989
    • DTXCID3021564
    • 606-666-4
    • hexadec-9-enoic acid
    • 9-Hexadecenoic acid, (9Z)-
    • hexadeca-9-enoic acid
    • 9-trans-Hexadecenoic acid;trans-Palmitoleic acid
    • SCHEMBL33311
    • SECPZKHBENQXJG-UHFFFAOYSA-N
    • AKOS028109448
    • DB-220102
    • NS00112847
    • Palmitoleic-2,2,3,3,4,4,5,5,6,6,7,7,8,8-D14 Acid
    • 2091-29-4

  • Applications

    9-Hexadecenoic acid (CAS 2091-29-4) is mainly used as an emollient and skin-conditioning ingredient in cosmetics and personal care. It also serves as a precursor for the synthesis of fatty acid esters used as surfactants, lubricants, and plasticizers in industrial manufacturing. In the polymers/plastics sector, it is exploited as a biobased feedstock for lubricants, plasticizers, and surface-treating additives. In fragrance and perfumery, the palmitoleate esters derived from this acid can be used as fragrance components or solvents in fragrance formulations. It may also function as a fatty acid component in detergent and cleaning-system formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 478.92
    methanol 341.29
    isopropanol 515.3
    water 0.01
    ethyl acetate 372.84
    n-propanol 418.0
    acetone 486.22
    n-butanol 439.87
    acetonitrile 97.3
    DMF 608.13
    toluene 137.75
    isobutanol 353.87
    1,4-dioxane 465.76
    methyl acetate 192.52
    THF 1524.22
    2-butanone 463.37
    n-pentanol 388.84
    sec-butanol 428.53
    n-hexane 186.39
    ethylene glycol 14.48
    NMP 605.24
    cyclohexane 182.65
    DMSO 990.88
    n-butyl acetate 515.6
    n-octanol 163.18
    chloroform 440.2
    n-propyl acetate 464.04
    acetic acid 125.04
    dichloromethane 458.37
    cyclohexanone 825.68
    propylene glycol 70.94
    isopropyl acetate 405.08
    DMAc 618.57
    2-ethoxyethanol 446.8
    isopentanol 492.62
    n-heptane 77.61
    ethyl formate 133.15
    1,2-dichloroethane 484.44
    n-hexanol 363.07
    2-methoxyethanol 525.59
    isobutyl acetate 341.27
    tetrachloromethane 102.22
    n-pentyl acetate 405.07
    transcutol 1741.67
    n-heptanol 184.12
    ethylbenzene 124.74
    MIBK 490.14
    2-propoxyethanol 542.14
    tert-butanol 685.83
    MTBE 773.08
    2-butoxyethanol 369.3
    propionic acid 154.58
    o-xylene 121.14
    formic acid 21.92
    diethyl ether 630.66
    m-xylene 138.96
    p-xylene 146.36
    chlorobenzene 167.55
    dimethyl carbonate 60.83
    n-octane 27.83
    formamide 45.79
    cyclopentanone 800.19
    2-pentanone 603.14
    anisole 237.63
    cyclopentyl methyl ether 768.81
    gamma-butyrolactone 558.06
    1-methoxy-2-propanol 624.23
    pyridine 315.6
    3-pentanone 312.04
    furfural 365.73
    n-dodecane 15.88
    diethylene glycol 197.08
    diisopropyl ether 244.3
    tert-amyl alcohol 564.49
    acetylacetone 453.79
    n-hexadecane 18.8
    acetophenone 251.9
    methyl propionate 254.61
    isopentyl acetate 520.66
    trichloroethylene 581.34
    n-nonanol 157.79
    cyclohexanol 452.31
    benzyl alcohol 174.28
    2-ethylhexanol 275.11
    isooctanol 189.85
    dipropyl ether 496.58
    1,2-dichlorobenzene 186.57
    ethyl lactate 146.57
    propylene carbonate 290.37
    n-methylformamide 156.82
    2-pentanol 403.3
    n-pentane 88.93
    1-propoxy-2-propanol 526.47
    1-methoxy-2-propyl acetate 456.27
    2-(2-methoxypropoxy) propanol 306.2
    mesitylene 111.31
    ε-caprolactone 606.58
    p-cymene 90.01
    epichlorohydrin 738.22
    1,1,1-trichloroethane 379.56
    2-aminoethanol 96.87
    morpholine-4-carbaldehyde 521.22
    sulfolane 947.41
    2,2,4-trimethylpentane 53.23
    2-methyltetrahydrofuran 1016.4
    n-hexyl acetate 445.72
    isooctane 46.0
    2-(2-butoxyethoxy)ethanol 497.34
    sec-butyl acetate 382.04
    tert-butyl acetate 538.9
    decalin 84.51
    glycerin 86.5
    diglyme 839.9
    acrylic acid 71.81
    isopropyl myristate 164.53
    n-butyric acid 425.63
    acetyl acetate 148.16
    di(2-ethylhexyl) phthalate 121.39
    ethyl propionate 341.08
    nitromethane 212.61
    1,2-diethoxyethane 703.42
    benzonitrile 169.43
    trioctyl phosphate 102.75
    1-bromopropane 425.04
    gamma-valerolactone 883.96
    n-decanol 111.77
    triethyl phosphate 146.76
    4-methyl-2-pentanol 267.19
    propionitrile 149.34
    vinylene carbonate 178.35
    1,1,2-trichlorotrifluoroethane 409.99
    DMS 179.17
    cumene 103.5
    2-octanol 147.36
    2-hexanone 546.54
    octyl acetate 190.09
    limonene 186.31
    1,2-dimethoxyethane 805.55
    ethyl orthosilicate 166.16
    tributyl phosphate 133.52
    diacetone alcohol 553.84
    N,N-dimethylaniline 200.35
    acrylonitrile 118.04
    aniline 163.12
    1,3-propanediol 217.4
    bromobenzene 187.87
    dibromomethane 376.13
    1,1,2,2-tetrachloroethane 655.74
    2-methyl-cyclohexyl acetate 317.76
    tetrabutyl urea 186.27
    diisobutyl methanol 181.76
    2-phenylethanol 199.39
    styrene 137.51
    dioctyl adipate 232.24
    dimethyl sulfate 137.7
    ethyl butyrate 378.94
    methyl lactate 127.37
    butyl lactate 269.4
    diethyl carbonate 168.71
    propanediol butyl ether 307.66
    triethyl orthoformate 280.59
    p-tert-butyltoluene 95.09
    methyl 4-tert-butylbenzoate 262.42
    morpholine 864.84
    tert-butylamine 470.07
    n-dodecanol 82.09
    dimethoxymethane 452.07
    ethylene carbonate 176.49
    cyrene 253.59
    2-ethoxyethyl acetate 401.78
    2-ethylhexyl acetate 401.54
    1,2,4-trichlorobenzene 215.16
    4-methylpyridine 368.99
    dibutyl ether 410.22
    2,6-dimethyl-4-heptanol 181.76
    DEF 546.99
    dimethyl isosorbide 560.4
    tetrachloroethylene 374.92
    eugenol 223.82
    triacetin 325.82
    span 80 301.12
    1,4-butanediol 80.8
    1,1-dichloroethane 409.48
    2-methyl-1-pentanol 365.46
    methyl formate 71.54
    2-methyl-1-butanol 399.33
    n-decane 34.39
    butyronitrile 280.01
    3,7-dimethyl-1-octanol 217.94
    1-chlorooctane 155.82
    1-chlorotetradecane 50.41
    n-nonane 35.24
    undecane 22.04
    tert-butylcyclohexane 76.58
    cyclooctane 54.26
    cyclopentanol 438.29
    tetrahydropyran 999.73
    tert-amyl methyl ether 520.43
    2,5,8-trioxanonane 517.63
    1-hexene 431.21
    2-isopropoxyethanol 413.49
    2,2,2-trifluoroethanol 31.57
    methyl butyrate 477.97

    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