Pentadecaenoic acid

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    26444-04-2

    Molecular formula
    C15H28O2

    SMILES
    CCCCCCCCCCCCC=CC(=O)O

  • Odor profile

    Fatty 88.58%
    Waxy 65.94%
    Oily 52.66%
    Dairy 47.41%
    Milky 39.28%
    Green 38.67%
    Citrus 35.46%
    Creamy 33.85%
    Meaty 29.18%
    Buttery 27.88%

    Scent© AI

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    7.04 (neutral)

    Molecular weight
    240.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    334°C

    Flash point est.
    173.4 ˚C

  • Synonyms

    • pentadecaenoic acid
    • DTXSID901020844
    • 26444-04-2

  • Applications

    Pentadecaenoic acid (C15:1, CAS 26444-04-2) is an odd-chain monounsaturated fatty acid used widely as an analytical standard in lipidomics and GC–MS profiling of odd-chain fatty acids, as an intermediate to synthesize tailored esters, amides and specialty surfactants, a building block for self-assembled materials and hydrophobic coatings, and a model substrate for studies of lipid metabolism (beta-oxidation, desaturase/elongase specificity) and membrane biophysics; it also serves as a precursor for flavor/fragrance esters and low–pour-point biolubricant additives, is applied in isotope/isomer tracing of lipid origins in food matrices, used as internal/external calibration standards, and provides a chemical scaffold to generate derivatives for bioactivity screening (e.g., antibacterial, antioxidant or signaling-modulating) subject to application-specific safety and regulatory requirements.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 508.06
    methanol 367.16
    isopropanol 526.98
    water 0.01
    ethyl acetate 359.44
    n-propanol 439.95
    acetone 518.08
    n-butanol 419.48
    acetonitrile 106.24
    DMF 685.79
    toluene 137.73
    isobutanol 374.93
    1,4-dioxane 403.4
    methyl acetate 201.38
    THF 1635.32
    2-butanone 494.08
    n-pentanol 371.12
    sec-butanol 420.97
    n-hexane 200.92
    ethylene glycol 18.15
    NMP 701.86
    cyclohexane 178.24
    DMSO 1141.45
    n-butyl acetate 544.17
    n-octanol 152.81
    chloroform 449.14
    n-propyl acetate 451.26
    acetic acid 131.75
    dichloromethane 494.35
    cyclohexanone 878.21
    propylene glycol 83.2
    isopropyl acetate 383.5
    DMAc 578.82
    2-ethoxyethanol 421.7
    isopentanol 475.9
    n-heptane 81.13
    ethyl formate 145.96
    1,2-dichloroethane 560.69
    n-hexanol 367.64
    2-methoxyethanol 521.43
    isobutyl acetate 325.97
    tetrachloromethane 114.06
    n-pentyl acetate 393.22
    transcutol 1279.96
    n-heptanol 175.03
    ethylbenzene 117.12
    MIBK 476.9
    2-propoxyethanol 533.25
    tert-butanol 685.95
    MTBE 710.55
    2-butoxyethanol 343.75
    propionic acid 178.42
    o-xylene 112.3
    formic acid 24.19
    diethyl ether 564.95
    m-xylene 136.44
    p-xylene 144.17
    chlorobenzene 179.94
    dimethyl carbonate 63.23
    n-octane 28.73
    formamide 53.3
    cyclopentanone 965.1
    2-pentanone 612.73
    anisole 217.31
    cyclopentyl methyl ether 797.56
    gamma-butyrolactone 682.43
    1-methoxy-2-propanol 618.44
    pyridine 339.55
    3-pentanone 309.66
    furfural 396.87
    n-dodecane 15.41
    diethylene glycol 196.57
    diisopropyl ether 231.95
    tert-amyl alcohol 550.15
    acetylacetone 452.78
    n-hexadecane 18.32
    acetophenone 235.22
    methyl propionate 262.81
    isopentyl acetate 537.75
    trichloroethylene 655.63
    n-nonanol 143.85
    cyclohexanol 451.8
    benzyl alcohol 168.95
    2-ethylhexanol 262.69
    isooctanol 182.96
    dipropyl ether 464.5
    1,2-dichlorobenzene 196.22
    ethyl lactate 149.06
    propylene carbonate 335.94
    n-methylformamide 185.98
    2-pentanol 385.09
    n-pentane 99.88
    1-propoxy-2-propanol 530.43
    1-methoxy-2-propyl acetate 442.45
    2-(2-methoxypropoxy) propanol 262.55
    mesitylene 111.2
    ε-caprolactone 598.9
    p-cymene 89.39
    epichlorohydrin 843.05
    1,1,1-trichloroethane 416.72
    2-aminoethanol 116.17
    morpholine-4-carbaldehyde 520.72
    sulfolane 1168.9
    2,2,4-trimethylpentane 49.59
    2-methyltetrahydrofuran 1060.99
    n-hexyl acetate 417.24
    isooctane 45.77
    2-(2-butoxyethoxy)ethanol 419.4
    sec-butyl acetate 364.21
    tert-butyl acetate 535.15
    decalin 77.76
    glycerin 92.51
    diglyme 727.37
    acrylic acid 84.84
    isopropyl myristate 150.7
    n-butyric acid 426.7
    acetyl acetate 146.15
    di(2-ethylhexyl) phthalate 111.29
    ethyl propionate 322.08
    nitromethane 226.3
    1,2-diethoxyethane 592.65
    benzonitrile 174.25
    trioctyl phosphate 97.3
    1-bromopropane 466.55
    gamma-valerolactone 911.34
    n-decanol 103.73
    triethyl phosphate 139.01
    4-methyl-2-pentanol 256.42
    propionitrile 164.45
    vinylene carbonate 196.27
    1,1,2-trichlorotrifluoroethane 433.64
    DMS 165.6
    cumene 98.76
    2-octanol 143.19
    2-hexanone 546.84
    octyl acetate 173.53
    limonene 179.53
    1,2-dimethoxyethane 723.62
    ethyl orthosilicate 151.95
    tributyl phosphate 127.0
    diacetone alcohol 550.15
    N,N-dimethylaniline 181.06
    acrylonitrile 139.25
    aniline 170.85
    1,3-propanediol 223.59
    bromobenzene 199.29
    dibromomethane 412.21
    1,1,2,2-tetrachloroethane 713.51
    2-methyl-cyclohexyl acetate 304.7
    tetrabutyl urea 178.2
    diisobutyl methanol 172.35
    2-phenylethanol 200.45
    styrene 132.47
    dioctyl adipate 206.03
    dimethyl sulfate 154.23
    ethyl butyrate 356.43
    methyl lactate 131.08
    butyl lactate 253.03
    diethyl carbonate 164.73
    propanediol butyl ether 272.74
    triethyl orthoformate 259.79
    p-tert-butyltoluene 94.01
    methyl 4-tert-butylbenzoate 237.74
    morpholine 805.19
    tert-butylamine 474.11
    n-dodecanol 76.54
    dimethoxymethane 435.75
    ethylene carbonate 193.89
    cyrene 245.29
    2-ethoxyethyl acetate 359.05
    2-ethylhexyl acetate 419.69
    1,2,4-trichlorobenzene 224.95
    4-methylpyridine 368.7
    dibutyl ether 357.37
    2,6-dimethyl-4-heptanol 172.35
    DEF 555.8
    dimethyl isosorbide 518.56
    tetrachloroethylene 400.85
    eugenol 209.72
    triacetin 276.72
    span 80 264.19
    1,4-butanediol 84.38
    1,1-dichloroethane 456.32
    2-methyl-1-pentanol 340.18
    methyl formate 86.33
    2-methyl-1-butanol 389.83
    n-decane 33.42
    butyronitrile 289.8
    3,7-dimethyl-1-octanol 197.59
    1-chlorooctane 152.61
    1-chlorotetradecane 48.86
    n-nonane 34.53
    undecane 21.47
    tert-butylcyclohexane 73.36
    cyclooctane 52.67
    cyclopentanol 489.21
    tetrahydropyran 931.05
    tert-amyl methyl ether 488.88
    2,5,8-trioxanonane 435.41
    1-hexene 445.13
    2-isopropoxyethanol 377.99
    2,2,2-trifluoroethanol 35.59
    methyl butyrate 461.06

    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

Botanical

Name CAS Botanical Proportion
Etrog, leaf Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.29%