Isoheptadecan-1-al

Overview IFRA Request a quote

  • Identifiers

    CAS number
    93843-21-1

    Molecular formula
    C17H34O

    SMILES
    CC(C)CCCCCCCCCCCCCC=O

  • Odor profile

    Fragrance
    Fatty 71.14%
    Waxy 70.39%
    Citrus 42.14%
    Meaty 40.17%
    Oily 37.87%
    Fresh 31.59%
    Sweet 30.4%
    Fruit skin 28.18%
    Aldehydic 27.97%
    Soapy 26.79%

     

    Flavor
    Waxy 62.46%
    Fatty 37.52%
    Fresh 37.09%
    Citrus 36.41%
    Fat 36.16%
    Soapy 33.56%
    Aldehydic 32.73%
    Flower 30.56%
    Floral 30.13%
    Wax 30.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.3

    pKa est.
    7.1 (neutral)

    Molecular weight
    254.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    323°C

    Flash point

    • 146.84 ˚C est.

  • Synonyms

    • Isoheptadecan-1-al
    • 15-methylhexadecanal
    • 93843-21-1
    • EINECS 299-100-7
    • 93815-51-1
    • 15-methyl hexadecanal
    • SCHEMBL536858
    • DTXSID60917504
    • TWJWQMBBEAVIPZ-UHFFFAOYSA-N

  • Applications

    Isoheptadecan-1-al (CAS 93843-21-1) is primarily used as an odorant/fragrance ingredient and as a synthetic intermediate for long-chain aroma compounds in perfumery. It may find application in cosmetics and personal care as a fragrance component in products such as perfumes, lotions, and hair care items. In industrial manufacturing, it serves as a building block for the synthesis of complex fragrance materials and the resins or plasticizers related to long-chain aldehydes, and in coatings/inks it can participate in resin formulations to tailor properties. It may also be evaluated as a polymer-building block in related formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 273.03
    methanol 127.26
    isopropanol 398.81
    water 0.0
    ethyl acetate 1124.25
    n-propanol 348.39
    acetone 686.22
    n-butanol 487.08
    acetonitrile 218.78
    DMF 523.95
    toluene 400.19
    isobutanol 348.96
    1,4-dioxane 936.86
    methyl acetate 515.4
    THF 2618.65
    2-butanone 922.38
    n-pentanol 334.11
    sec-butanol 435.67
    n-hexane 350.8
    ethylene glycol 7.78
    NMP 907.0
    cyclohexane 931.87
    DMSO 683.05
    n-butyl acetate 1609.43
    n-octanol 260.49
    chloroform 1828.65
    n-propyl acetate 1206.6
    acetic acid 156.75
    dichloromethane 1789.45
    cyclohexanone 2113.22
    propylene glycol 39.19
    isopropyl acetate 1101.14
    DMAc 646.86
    2-ethoxyethanol 440.57
    isopentanol 597.85
    n-heptane 403.02
    ethyl formate 380.0
    1,2-dichloroethane 1511.56
    n-hexanol 461.52
    2-methoxyethanol 481.56
    isobutyl acetate 842.9
    tetrachloromethane 520.5
    n-pentyl acetate 1138.19
    transcutol 2198.4
    n-heptanol 270.54
    ethylbenzene 326.56
    MIBK 999.78
    2-propoxyethanol 689.43
    tert-butanol 702.63
    MTBE 1189.43
    2-butoxyethanol 556.59
    propionic acid 242.55
    o-xylene 339.37
    formic acid 15.63
    diethyl ether 1098.86
    m-xylene 347.79
    p-xylene 447.46
    chlorobenzene 620.98
    dimethyl carbonate 118.94
    n-octane 115.81
    formamide 34.88
    cyclopentanone 1797.46
    2-pentanone 1180.01
    anisole 545.84
    cyclopentyl methyl ether 1580.09
    gamma-butyrolactone 1472.82
    1-methoxy-2-propanol 637.98
    pyridine 908.21
    3-pentanone 781.64
    furfural 890.02
    n-dodecane 46.43
    diethylene glycol 179.01
    diisopropyl ether 579.01
    tert-amyl alcohol 644.81
    acetylacetone 1040.07
    n-hexadecane 58.53
    acetophenone 575.8
    methyl propionate 598.74
    isopentyl acetate 1490.98
    trichloroethylene 2022.43
    n-nonanol 264.14
    cyclohexanol 835.99
    benzyl alcohol 294.33
    2-ethylhexanol 559.69
    isooctanol 329.82
    dipropyl ether 1592.29
    1,2-dichlorobenzene 698.21
    ethyl lactate 296.76
    propylene carbonate 882.41
    n-methylformamide 165.69
    2-pentanol 473.27
    n-pentane 211.14
    1-propoxy-2-propanol 940.94
    1-methoxy-2-propyl acetate 1116.99
    2-(2-methoxypropoxy) propanol 471.64
    mesitylene 307.34
    ε-caprolactone 1586.28
    p-cymene 342.78
    epichlorohydrin 1780.23
    1,1,1-trichloroethane 1756.62
    2-aminoethanol 51.76
    morpholine-4-carbaldehyde 834.42
    sulfolane 1827.49
    2,2,4-trimethylpentane 135.38
    2-methyltetrahydrofuran 2032.22
    n-hexyl acetate 1067.21
    isooctane 116.38
    2-(2-butoxyethoxy)ethanol 672.46
    sec-butyl acetate 1044.14
    tert-butyl acetate 1387.39
    decalin 256.47
    glycerin 53.92
    diglyme 1461.65
    acrylic acid 117.88
    isopropyl myristate 441.4
    n-butyric acid 818.88
    acetyl acetate 527.4
    di(2-ethylhexyl) phthalate 229.52
    ethyl propionate 1011.12
    nitromethane 383.67
    1,2-diethoxyethane 1499.77
    benzonitrile 467.33
    trioctyl phosphate 200.72
    1-bromopropane 1247.68
    gamma-valerolactone 1910.94
    n-decanol 184.32
    triethyl phosphate 490.71
    4-methyl-2-pentanol 372.56
    propionitrile 374.49
    vinylene carbonate 528.49
    1,1,2-trichlorotrifluoroethane 794.98
    DMS 427.7
    cumene 258.78
    2-octanol 256.23
    2-hexanone 1028.91
    octyl acetate 451.09
    limonene 686.99
    1,2-dimethoxyethane 1306.98
    ethyl orthosilicate 531.4
    tributyl phosphate 292.06
    diacetone alcohol 924.72
    N,N-dimethylaniline 383.84
    acrylonitrile 270.4
    aniline 356.43
    1,3-propanediol 156.4
    bromobenzene 771.57
    dibromomethane 1344.23
    1,1,2,2-tetrachloroethane 2097.01
    2-methyl-cyclohexyl acetate 938.35
    tetrabutyl urea 384.34
    diisobutyl methanol 474.4
    2-phenylethanol 371.99
    styrene 366.94
    dioctyl adipate 564.53
    dimethyl sulfate 238.48
    ethyl butyrate 1520.39
    methyl lactate 175.14
    butyl lactate 566.26
    diethyl carbonate 695.4
    propanediol butyl ether 328.07
    triethyl orthoformate 1061.49
    p-tert-butyltoluene 330.92
    methyl 4-tert-butylbenzoate 580.56
    morpholine 1434.1
    tert-butylamine 578.29
    n-dodecanol 138.35
    dimethoxymethane 513.71
    ethylene carbonate 587.29
    cyrene 391.26
    2-ethoxyethyl acetate 943.67
    2-ethylhexyl acetate 1269.95
    1,2,4-trichlorobenzene 755.78
    4-methylpyridine 940.47
    dibutyl ether 1162.51
    2,6-dimethyl-4-heptanol 474.4
    DEF 1053.97
    dimethyl isosorbide 1097.41
    tetrachloroethylene 1225.37
    eugenol 407.53
    triacetin 796.4
    span 80 470.2
    1,4-butanediol 57.41
    1,1-dichloroethane 1460.83
    2-methyl-1-pentanol 401.65
    methyl formate 114.17
    2-methyl-1-butanol 466.81
    n-decane 115.81
    butyronitrile 632.34
    3,7-dimethyl-1-octanol 409.61
    1-chlorooctane 438.66
    1-chlorotetradecane 137.82
    n-nonane 127.55
    undecane 67.68
    tert-butylcyclohexane 217.78
    cyclooctane 253.7
    cyclopentanol 660.57
    tetrahydropyran 2132.56
    tert-amyl methyl ether 913.57
    2,5,8-trioxanonane 815.12
    1-hexene 693.21
    2-isopropoxyethanol 456.83
    2,2,2-trifluoroethanol 54.35
    methyl butyrate 1344.98

    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