Valeraldehyde dihexyl acetal

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C17H36O2

    SMILES
    CCCCCCOC(CCCC)OCCCCCC

  • Odor profile

    Green 96.11%
    Oily 64.99%
    Cognac 64.45%
    Apple 63.0%
    Alcoholic 51.65%
    Vegetable 42.42%
    Fermented 42.15%
    Herbal 37.38%
    Sweet 36.66%
    Ethereal 33.78%

    Scent© AI

  • Properties

    XLogP3-AA
    6.6

    Molecular weight
    272.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    304°C

    Flash point est.
    126.5 ˚C

  • Synonyms

    • VALERALDEHYDE DIHEXYL ACETAL
    • Q63409137

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6026.04
    methanol 3460.78
    isopropanol 7719.02
    water 0.32
    ethyl acetate 22734.37
    n-propanol 7203.76
    acetone 16994.34
    n-butanol 9420.53
    acetonitrile 9047.11
    DMF 8945.54
    toluene 10236.8
    isobutanol 7749.57
    1,4-dioxane 16721.78
    methyl acetate 11649.93
    THF 22295.49
    2-butanone 15637.43
    n-pentanol 6048.81
    sec-butanol 9164.23
    n-hexane 11493.65
    ethylene glycol 261.13
    NMP 11923.45
    cyclohexane 29676.65
    DMSO 9906.49
    n-butyl acetate 25856.78
    n-octanol 5779.49
    chloroform 32306.6
    n-propyl acetate 18492.5
    acetic acid 5616.65
    dichloromethane 33696.49
    cyclohexanone 33304.4
    propylene glycol 641.69
    isopropyl acetate 18491.53
    DMAc 9685.53
    2-ethoxyethanol 5132.35
    isopentanol 10629.72
    n-heptane 11090.25
    ethyl formate 7949.68
    1,2-dichloroethane 26035.11
    n-hexanol 8004.0
    2-methoxyethanol 6118.0
    isobutyl acetate 11464.25
    tetrachloromethane 10349.52
    n-pentyl acetate 18326.31
    transcutol 17438.72
    n-heptanol 5344.73
    ethylbenzene 6591.39
    MIBK 12300.0
    2-propoxyethanol 7434.35
    tert-butanol 11211.19
    MTBE 20930.9
    2-butoxyethanol 6437.23
    propionic acid 5882.59
    o-xylene 7071.85
    formic acid 588.54
    diethyl ether 23164.45
    m-xylene 6480.17
    p-xylene 9745.41
    chlorobenzene 12903.14
    dimethyl carbonate 2950.22
    n-octane 3570.56
    formamide 1219.59
    cyclopentanone 21100.79
    2-pentanone 18847.88
    anisole 7287.04
    cyclopentyl methyl ether 20702.26
    gamma-butyrolactone 17932.26
    1-methoxy-2-propanol 6419.49
    pyridine 17304.28
    3-pentanone 14570.98
    furfural 10683.76
    n-dodecane 1480.75
    diethylene glycol 2073.46
    diisopropyl ether 11374.49
    tert-amyl alcohol 11540.52
    acetylacetone 15059.54
    n-hexadecane 1815.29
    acetophenone 7751.61
    methyl propionate 11321.05
    isopentyl acetate 21615.22
    trichloroethylene 33077.02
    n-nonanol 5219.14
    cyclohexanol 16784.34
    benzyl alcohol 4131.41
    2-ethylhexanol 9643.22
    isooctanol 5400.45
    dipropyl ether 20733.66
    1,2-dichlorobenzene 11801.24
    ethyl lactate 3429.28
    propylene carbonate 11743.95
    n-methylformamide 4102.77
    2-pentanol 10007.33
    n-pentane 8410.91
    1-propoxy-2-propanol 9692.91
    1-methoxy-2-propyl acetate 11003.61
    2-(2-methoxypropoxy) propanol 3780.14
    mesitylene 5247.2
    ε-caprolactone 24587.5
    p-cymene 5740.92
    epichlorohydrin 19625.05
    1,1,1-trichloroethane 29708.13
    2-aminoethanol 1049.71
    morpholine-4-carbaldehyde 9961.03
    sulfolane 16703.94
    2,2,4-trimethylpentane 3584.98
    2-methyltetrahydrofuran 25996.19
    n-hexyl acetate 17501.52
    isooctane 2641.44
    2-(2-butoxyethoxy)ethanol 5617.41
    sec-butyl acetate 14784.41
    tert-butyl acetate 17847.05
    decalin 6598.3
    glycerin 734.22
    diglyme 14252.82
    acrylic acid 3308.77
    isopropyl myristate 5986.46
    n-butyric acid 15404.16
    acetyl acetate 11934.54
    di(2-ethylhexyl) phthalate 2705.33
    ethyl propionate 16004.75
    nitromethane 10427.1
    1,2-diethoxyethane 18853.52
    benzonitrile 8761.9
    trioctyl phosphate 2727.23
    1-bromopropane 24028.95
    gamma-valerolactone 21036.92
    n-decanol 3332.64
    triethyl phosphate 5426.27
    4-methyl-2-pentanol 6045.89
    propionitrile 9989.71
    vinylene carbonate 9163.34
    1,1,2-trichlorotrifluoroethane 9320.03
    DMS 6868.3
    cumene 4527.09
    2-octanol 5370.91
    2-hexanone 14406.58
    octyl acetate 6494.55
    limonene 11836.44
    1,2-dimethoxyethane 15312.37
    ethyl orthosilicate 6219.51
    tributyl phosphate 4047.29
    diacetone alcohol 9061.02
    N,N-dimethylaniline 5456.96
    acrylonitrile 7742.07
    aniline 7124.19
    1,3-propanediol 2846.55
    bromobenzene 16526.79
    dibromomethane 27155.38
    1,1,2,2-tetrachloroethane 30662.78
    2-methyl-cyclohexyl acetate 9788.95
    tetrabutyl urea 5149.68
    diisobutyl methanol 6670.52
    2-phenylethanol 4359.62
    styrene 8164.35
    dioctyl adipate 6514.63
    dimethyl sulfate 3787.66
    ethyl butyrate 20842.47
    methyl lactate 2605.36
    butyl lactate 7357.14
    diethyl carbonate 9758.87
    propanediol butyl ether 3757.5
    triethyl orthoformate 12407.47
    p-tert-butyltoluene 5126.24
    methyl 4-tert-butylbenzoate 5752.39
    morpholine 19427.77
    tert-butylamine 10284.83
    n-dodecanol 2499.7
    dimethoxymethane 7721.49
    ethylene carbonate 10918.65
    cyrene 2683.38
    2-ethoxyethyl acetate 12905.61
    2-ethylhexyl acetate 18084.31
    1,2,4-trichlorobenzene 11028.09
    4-methylpyridine 19092.05
    dibutyl ether 20799.02
    2,6-dimethyl-4-heptanol 6670.52
    DEF 18794.23
    dimethyl isosorbide 6564.54
    tetrachloroethylene 21397.14
    eugenol 4050.43
    triacetin 8615.15
    span 80 4528.64
    1,4-butanediol 1157.16
    1,1-dichloroethane 26592.87
    2-methyl-1-pentanol 6814.91
    methyl formate 3038.3
    2-methyl-1-butanol 9539.08
    n-decane 3349.45
    butyronitrile 14393.02
    3,7-dimethyl-1-octanol 6774.68
    1-chlorooctane 8873.33
    1-chlorotetradecane 2810.54
    n-nonane 3905.2
    undecane 2034.01
    tert-butylcyclohexane 5036.92
    cyclooctane 7755.45
    cyclopentanol 11150.88
    tetrahydropyran 35048.78
    tert-amyl methyl ether 15069.52
    2,5,8-trioxanonane 6213.76
    1-hexene 16400.02
    2-isopropoxyethanol 5021.74
    2,2,2-trifluoroethanol 1733.67
    methyl butyrate 21169.93

    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