Isohexadecanal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    62028-96-0

    Molecular formula
    C16H32O

    SMILES
    CC(C)CCCCCCCCCCCCC=O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 71.88%
    Waxy 70.06%
    Citrus 49.73%
    Meaty 40.56%
    Oily 36.88%
    Fresh 35.89%
    Sweet 34.29%
    Aldehydic 33.91%
    Fruit skin 30.9%
    Fruity 30.35%

     

    Flavor
    Waxy 64.45%
    Citrus 41.95%
    Fresh 40.89%
    Fatty 39.18%
    Fat 37.96%
    Aldehydic 37.78%
    Soapy 35.93%
    Floral 34.83%
    Flower 31.43%
    Wax 30.55%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    7.05 (neutral)

    Molecular weight
    240.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 138.18 ˚C est.

  • Synonyms

    • Isohexadecanal
    • 62028-96-0
    • EINECS 263-377-2
    • DTXSID50211088
    • RefChem:149409
    • DTXCID50133579
    • 263-377-2
    • 14-methylpentadecanal
    • SCHEMBL293701
    • SCHEMBL293702
    • IKBYSGSLCRPWRO-UHFFFAOYSA-N
    • NS00122240
    • 62028-96-0

  • Applications

    Isohexadecanal (CAS 62028-96-0) is used primarily as a fragrance ingredient and odorant, contributing to warm, long-lasting notes in perfumery; it may also find application in cosmetics and personal care as a fragrance additive. In industrial manufacturing, it is often evaluated as an intermediate for the synthesis of other fragrance compounds and related aroma materials, and it may be incorporated into cleaning or household product formulations to impart a characteristic scent, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 472.37
    methanol 212.23
    isopropanol 640.01
    water 0.0
    ethyl acetate 1412.48
    n-propanol 550.83
    acetone 1022.55
    n-butanol 723.14
    acetonitrile 312.73
    DMF 655.44
    toluene 503.95
    isobutanol 516.5
    1,4-dioxane 1220.06
    methyl acetate 646.8
    THF 3264.99
    2-butanone 1267.63
    n-pentanol 500.59
    sec-butanol 659.35
    n-hexane 526.0
    ethylene glycol 12.35
    NMP 963.04
    cyclohexane 1114.9
    DMSO 867.6
    n-butyl acetate 1959.12
    n-octanol 323.11
    chloroform 2170.33
    n-propyl acetate 1447.1
    acetic acid 206.64
    dichloromethane 2095.6
    cyclohexanone 2514.73
    propylene glycol 59.64
    isopropyl acetate 1303.71
    DMAc 721.74
    2-ethoxyethanol 595.01
    isopentanol 847.71
    n-heptane 500.47
    ethyl formate 475.39
    1,2-dichloroethane 1797.76
    n-hexanol 666.64
    2-methoxyethanol 676.04
    isobutyl acetate 979.29
    tetrachloromethane 576.96
    n-pentyl acetate 1232.19
    transcutol 2692.25
    n-heptanol 341.75
    ethylbenzene 391.29
    MIBK 1192.54
    2-propoxyethanol 922.67
    tert-butanol 1027.86
    MTBE 1648.45
    2-butoxyethanol 677.23
    propionic acid 316.72
    o-xylene 401.13
    formic acid 20.55
    diethyl ether 1550.68
    m-xylene 421.24
    p-xylene 519.44
    chlorobenzene 729.8
    dimethyl carbonate 131.86
    n-octane 137.64
    formamide 44.42
    cyclopentanone 2063.47
    2-pentanone 1578.8
    anisole 633.46
    cyclopentyl methyl ether 1942.76
    gamma-butyrolactone 1660.68
    1-methoxy-2-propanol 879.6
    pyridine 1130.68
    3-pentanone 968.71
    furfural 1026.42
    n-dodecane 53.87
    diethylene glycol 246.87
    diisopropyl ether 727.13
    tert-amyl alcohol 898.73
    acetylacetone 1215.41
    n-hexadecane 67.77
    acetophenone 632.67
    methyl propionate 728.64
    isopentyl acetate 1769.23
    trichloroethylene 2357.41
    n-nonanol 315.53
    cyclohexanol 1115.78
    benzyl alcohol 366.32
    2-ethylhexanol 727.13
    isooctanol 401.0
    dipropyl ether 2009.76
    1,2-dichlorobenzene 772.83
    ethyl lactate 348.08
    propylene carbonate 990.33
    n-methylformamide 223.13
    2-pentanol 678.0
    n-pentane 300.34
    1-propoxy-2-propanol 1231.04
    1-methoxy-2-propyl acetate 1304.37
    2-(2-methoxypropoxy) propanol 540.54
    mesitylene 357.46
    ε-caprolactone 1819.03
    p-cymene 376.17
    epichlorohydrin 2087.8
    1,1,1-trichloroethane 1982.31
    2-aminoethanol 79.09
    morpholine-4-carbaldehyde 962.48
    sulfolane 1960.51
    2,2,4-trimethylpentane 161.06
    2-methyltetrahydrofuran 2556.91
    n-hexyl acetate 1201.72
    isooctane 142.38
    2-(2-butoxyethoxy)ethanol 792.87
    sec-butyl acetate 1217.77
    tert-butyl acetate 1568.32
    decalin 304.62
    glycerin 75.24
    diglyme 1671.09
    acrylic acid 150.41
    isopropyl myristate 479.35
    n-butyric acid 1069.32
    acetyl acetate 603.81
    di(2-ethylhexyl) phthalate 252.96
    ethyl propionate 1176.43
    nitromethane 475.28
    1,2-diethoxyethane 1816.6
    benzonitrile 571.59
    trioctyl phosphate 222.51
    1-bromopropane 1601.84
    gamma-valerolactone 2184.79
    n-decanol 218.43
    triethyl phosphate 516.53
    4-methyl-2-pentanol 500.87
    propionitrile 529.02
    vinylene carbonate 591.2
    1,1,2-trichlorotrifluoroethane 915.36
    DMS 467.71
    cumene 303.58
    2-octanol 311.25
    2-hexanone 1324.83
    octyl acetate 493.28
    limonene 763.59
    1,2-dimethoxyethane 1656.63
    ethyl orthosilicate 564.43
    tributyl phosphate 321.67
    diacetone alcohol 1091.34
    N,N-dimethylaniline 430.85
    acrylonitrile 379.01
    aniline 457.73
    1,3-propanediol 230.49
    bromobenzene 896.01
    dibromomethane 1638.27
    1,1,2,2-tetrachloroethane 2381.14
    2-methyl-cyclohexyl acetate 1018.0
    tetrabutyl urea 414.6
    diisobutyl methanol 573.56
    2-phenylethanol 458.4
    styrene 444.89
    dioctyl adipate 603.51
    dimethyl sulfate 249.33
    ethyl butyrate 1726.86
    methyl lactate 207.18
    butyl lactate 629.33
    diethyl carbonate 778.86
    propanediol butyl ether 399.26
    triethyl orthoformate 1148.32
    p-tert-butyltoluene 368.11
    methyl 4-tert-butylbenzoate 605.49
    morpholine 1880.36
    tert-butylamine 823.27
    n-dodecanol 167.66
    dimethoxymethane 652.59
    ethylene carbonate 659.24
    cyrene 423.31
    2-ethoxyethyl acetate 1041.16
    2-ethylhexyl acetate 1486.23
    1,2,4-trichlorobenzene 832.61
    4-methylpyridine 1175.08
    dibutyl ether 1381.0
    2,6-dimethyl-4-heptanol 573.56
    DEF 1291.6
    dimethyl isosorbide 1176.37
    tetrachloroethylene 1393.8
    eugenol 445.24
    triacetin 827.71
    span 80 538.37
    1,4-butanediol 81.79
    1,1-dichloroethane 1815.35
    2-methyl-1-pentanol 556.46
    methyl formate 141.7
    2-methyl-1-butanol 666.23
    n-decane 134.81
    butyronitrile 888.92
    3,7-dimethyl-1-octanol 496.97
    1-chlorooctane 502.61
    1-chlorotetradecane 156.31
    n-nonane 151.17
    undecane 79.07
    tert-butylcyclohexane 262.35
    cyclooctane 299.27
    cyclopentanol 864.93
    tetrahydropyran 2831.72
    tert-amyl methyl ether 1170.93
    2,5,8-trioxanonane 920.94
    1-hexene 1065.84
    2-isopropoxyethanol 606.06
    2,2,2-trifluoroethanol 62.5
    methyl butyrate 1576.2

    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