Hexanal dihexyl acetal

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  • Identifiers

    CAS number
    33673-65-3

    Molecular formula
    C18H38O2

    SMILES
    CCCCCCOC(CCCCC)OCCCCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 95.53%
    Oily 65.75%
    Apple 63.43%
    Cognac 60.48%
    Vegetable 43.47%
    Alcoholic 43.35%
    Herbal 40.34%
    Sweet 39.37%
    Fermented 36.36%
    Fruity 35.21%

     

    Flavor
    Green 53.22%
    Floral 46.72%
    Fruity 45.03%
    Waxy 42.99%
    Mushroom 40.19%
    Fatty 37.9%
    Herbal 37.79%
    Oily 35.14%
    Earthy 33.25%
    Rose 33.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    7.1

    pKa est.
    6.66 (neutral)

    Molecular weight
    286.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    319°C

    Flash point

    • 132.39 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in organic solvents
    • Soluble (in ethanol)

  • Synonyms

    • hexanal dihexyl acetal
    • 1,1-Bis(hexyloxy)hexane
    • 33673-65-3
    • 1,1-dihexoxyhexane
    • Hexane, 1,1-bis(hexyloxy)-
    • EINECS 251-631-5
    • UNII-89PUE1O508
    • 89PUE1O508
    • FEMA NO. 4370
    • DTXSID30187353
    • HEXANAL DIHEXYL ACETAL [FHFI]
    • FEMA NO. 4369, 1,1-DIHEXOXY-
    • 1,1-bis-(Hexyloxy)hexane
    • 1,1-Bis(hexyloxy)-Hexane
    • SCHEMBL873033
    • DTXCID40109844
    • JAMIQGJXDPTFJL-UHFFFAOYSA-N
    • NS00022066
    • Q27270055

  • Applications

    Hexanal dihexyl acetal (CAS 33673-65-3) is primarily used as a fragrance ingredient, potentially functioning as an odorant or fixative in perfumery; it may also be employed in cosmetics and personal care as a fragrance component in products such as perfumes, lotions, or creams to impart or enhance aroma. In household products and cleaning formulations, it can serve as a fragrance additive to impart or modify scent. It can also be evaluated as an intermediate in fragrance synthesis and may be considered for inclusion in polymer, plastic, coating, or ink formulations where scent contribution is desired, subject to formulation controls and local regulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5436.55
    methanol 3289.71
    isopropanol 7132.29
    water 0.45
    ethyl acetate 25806.39
    n-propanol 6731.23
    acetone 19441.32
    n-butanol 8857.98
    acetonitrile 9514.5
    DMF 10425.84
    toluene 10899.23
    isobutanol 7442.72
    1,4-dioxane 17717.7
    methyl acetate 13514.63
    THF 24979.99
    2-butanone 16994.19
    n-pentanol 5420.37
    sec-butanol 8491.03
    n-hexane 10584.48
    ethylene glycol 271.49
    NMP 15387.73
    cyclohexane 30949.59
    DMSO 11301.36
    n-butyl acetate 27103.11
    n-octanol 5808.53
    chloroform 35243.66
    n-propyl acetate 19988.5
    acetic acid 6303.15
    dichloromethane 37255.05
    cyclohexanone 37727.42
    propylene glycol 639.07
    isopropyl acetate 21363.47
    DMAc 12077.91
    2-ethoxyethanol 5200.59
    isopentanol 10497.47
    n-heptane 10888.47
    ethyl formate 8622.68
    1,2-dichloroethane 29892.67
    n-hexanol 7236.18
    2-methoxyethanol 6415.69
    isobutyl acetate 12411.97
    tetrachloromethane 11633.64
    n-pentyl acetate 20695.3
    transcutol 19594.76
    n-heptanol 5327.8
    ethylbenzene 6791.37
    MIBK 14098.99
    2-propoxyethanol 7429.5
    tert-butanol 10674.41
    MTBE 21836.19
    2-butoxyethanol 6923.03
    propionic acid 6697.0
    o-xylene 7901.12
    formic acid 680.01
    diethyl ether 23711.3
    m-xylene 7277.29
    p-xylene 10318.43
    chlorobenzene 14277.64
    dimethyl carbonate 3738.25
    n-octane 3544.42
    formamide 1500.14
    cyclopentanone 24769.11
    2-pentanone 21011.82
    anisole 7824.74
    cyclopentyl methyl ether 24023.72
    gamma-butyrolactone 21423.77
    1-methoxy-2-propanol 6968.39
    pyridine 18515.83
    3-pentanone 17152.9
    furfural 12177.44
    n-dodecane 1487.2
    diethylene glycol 2106.98
    diisopropyl ether 12728.71
    tert-amyl alcohol 11170.62
    acetylacetone 18238.86
    n-hexadecane 1843.54
    acetophenone 8620.0
    methyl propionate 13552.53
    isopentyl acetate 23696.52
    trichloroethylene 38164.62
    n-nonanol 5316.09
    cyclohexanol 17426.07
    benzyl alcohol 4239.09
    2-ethylhexanol 9502.49
    isooctanol 5592.52
    dipropyl ether 21246.77
    1,2-dichlorobenzene 13427.26
    ethyl lactate 3813.69
    propylene carbonate 14096.61
    n-methylformamide 4679.23
    2-pentanol 9717.4
    n-pentane 8285.32
    1-propoxy-2-propanol 9951.35
    1-methoxy-2-propyl acetate 13060.43
    2-(2-methoxypropoxy) propanol 4166.82
    mesitylene 5964.48
    ε-caprolactone 27555.86
    p-cymene 6137.53
    epichlorohydrin 22906.04
    1,1,1-trichloroethane 33930.75
    2-aminoethanol 1071.53
    morpholine-4-carbaldehyde 12051.11
    sulfolane 20901.88
    2,2,4-trimethylpentane 3887.6
    2-methyltetrahydrofuran 28552.66
    n-hexyl acetate 19645.54
    isooctane 2793.16
    2-(2-butoxyethoxy)ethanol 6113.48
    sec-butyl acetate 16492.21
    tert-butyl acetate 21126.63
    decalin 6882.06
    glycerin 793.38
    diglyme 16081.43
    acrylic acid 3813.27
    isopropyl myristate 6815.39
    n-butyric acid 16626.57
    acetyl acetate 14164.39
    di(2-ethylhexyl) phthalate 2993.55
    ethyl propionate 17832.44
    nitromethane 12523.13
    1,2-diethoxyethane 20361.82
    benzonitrile 8981.84
    trioctyl phosphate 3042.02
    1-bromopropane 25743.02
    gamma-valerolactone 24737.93
    n-decanol 3416.99
    triethyl phosphate 6389.78
    4-methyl-2-pentanol 6166.42
    propionitrile 10391.27
    vinylene carbonate 10486.88
    1,1,2-trichlorotrifluoroethane 10526.89
    DMS 8354.6
    cumene 4812.16
    2-octanol 5424.11
    2-hexanone 15062.41
    octyl acetate 7353.99
    limonene 12970.27
    1,2-dimethoxyethane 15440.13
    ethyl orthosilicate 7207.83
    tributyl phosphate 4690.07
    diacetone alcohol 10489.81
    N,N-dimethylaniline 6025.2
    acrylonitrile 8224.11
    aniline 7708.6
    1,3-propanediol 2860.23
    bromobenzene 18545.71
    dibromomethane 29560.28
    1,1,2,2-tetrachloroethane 34915.95
    2-methyl-cyclohexyl acetate 11201.64
    tetrabutyl urea 5955.11
    diisobutyl methanol 6847.88
    2-phenylethanol 4440.69
    styrene 8524.06
    dioctyl adipate 7494.25
    dimethyl sulfate 5134.45
    ethyl butyrate 23183.01
    methyl lactate 3101.44
    butyl lactate 8358.5
    diethyl carbonate 10919.22
    propanediol butyl ether 4007.29
    triethyl orthoformate 14216.61
    p-tert-butyltoluene 5600.91
    methyl 4-tert-butylbenzoate 6833.94
    morpholine 20543.62
    tert-butylamine 10111.49
    n-dodecanol 2564.18
    dimethoxymethane 9066.19
    ethylene carbonate 12681.47
    cyrene 3056.62
    2-ethoxyethyl acetate 15012.46
    2-ethylhexyl acetate 19845.46
    1,2,4-trichlorobenzene 12727.15
    4-methylpyridine 20233.57
    dibutyl ether 21648.72
    2,6-dimethyl-4-heptanol 6847.88
    DEF 21880.96
    dimethyl isosorbide 7700.86
    tetrachloroethylene 24749.01
    eugenol 4471.22
    triacetin 10494.53
    span 80 4885.58
    1,4-butanediol 1126.32
    1,1-dichloroethane 29448.96
    2-methyl-1-pentanol 6510.34
    methyl formate 3544.28
    2-methyl-1-butanol 9492.53
    n-decane 3370.92
    butyronitrile 14041.06
    3,7-dimethyl-1-octanol 7116.26
    1-chlorooctane 9329.75
    1-chlorotetradecane 3018.43
    n-nonane 3859.41
    undecane 2049.14
    tert-butylcyclohexane 5324.48
    cyclooctane 8399.78
    cyclopentanol 11578.83
    tetrahydropyran 36526.62
    tert-amyl methyl ether 16380.84
    2,5,8-trioxanonane 6781.57
    1-hexene 14570.38
    2-isopropoxyethanol 5127.9
    2,2,2-trifluoroethanol 2177.27
    methyl butyrate 22524.87

    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