1,6-Hexanediol, 1,6-diacetate

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  • Identifiers

    CAS number
    64847-81-0

    Molecular formula
    C10H18O4

    SMILES
    CC(=O)OCCCCCCOC(=O)C

  • Odor profile

    Fruity 90.21%
    Sweet 49.72%
    Floral 47.44%
    Ethereal 42.86%
    Fresh 40.82%
    Winey 31.58%
    Apple 28.3%
    Tropical 26.8%
    Herbal 25.64%
    Grape 25.24%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    202.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    256°C

    Flash point est.
    121.23 ˚C

  • Synonyms

    • 1,6-Diacetoxyhexane
    • 6222-17-9
    • 1,6-Hexanediol diacetate
    • Hexylene glycol diacetate
    • 1,6-Hexanediol, diacetate
    • 6-acetyloxyhexyl acetate
    • 1,6-Dihydroxyhexane diacetate
    • 1,6-Hexanediol, 1,6-diacetate
    • NSC 67922
    • BRN 1775803
    • AI3-06316
    • DTXSID10884237
    • 4-02-00-00228 (Beilstein Handbook Reference)
    • Hexamethylene Diacetate
    • hexane-1,6-diyl diacetate
    • 6-(Acetyloxy)hexyl acetate
    • NCIOpen2_003271
    • SCHEMBL273326
    • 6-(Acetyloxy)hexyl acetate #
    • DTXCID001023691
    • NSC67922
    • MFCD00191655
    • NSC-67922
    • AKOS024348847
    • BS-51029
    • CS-0199186
    • H0832
    • E78131

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 52.5
    methanol 86.58
    isopropanol 42.34
    water 0.29
    ethyl acetate 64.47
    n-propanol 32.2
    acetone 139.66
    n-butanol 28.28
    acetonitrile 82.43
    DMF 294.82
    toluene 41.77
    isobutanol 25.08
    1,4-dioxane 127.47
    methyl acetate 80.17
    THF 257.96
    2-butanone 85.76
    n-pentanol 25.7
    sec-butanol 34.88
    n-hexane 8.19
    ethylene glycol 10.66
    NMP 397.19
    cyclohexane 10.04
    DMSO 431.83
    n-butyl acetate 44.38
    n-octanol 15.5
    chloroform 376.83
    n-propyl acetate 44.67
    acetic acid 136.67
    dichloromethane 331.91
    cyclohexanone 166.38
    propylene glycol 16.19
    isopropyl acetate 45.6
    DMAc 402.67
    2-ethoxyethanol 74.81
    isopentanol 29.76
    n-heptane 3.0
    ethyl formate 48.95
    1,2-dichloroethane 167.08
    n-hexanol 19.46
    2-methoxyethanol 119.67
    isobutyl acetate 31.92
    tetrachloromethane 33.75
    n-pentyl acetate 28.39
    transcutol 242.99
    n-heptanol 9.83
    ethylbenzene 31.16
    MIBK 42.92
    2-propoxyethanol 60.15
    tert-butanol 75.18
    MTBE 58.76
    2-butoxyethanol 30.93
    propionic acid 67.13
    o-xylene 39.69
    formic acid 52.44
    diethyl ether 46.79
    m-xylene 30.65
    p-xylene 44.94
    chlorobenzene 73.3
    dimethyl carbonate 27.59
    n-octane 1.8
    formamide 82.88
    cyclopentanone 238.75
    2-pentanone 59.76
    anisole 67.85
    cyclopentyl methyl ether 86.57
    gamma-butyrolactone 266.16
    1-methoxy-2-propanol 83.88
    pyridine 133.46
    3-pentanone 56.03
    furfural 250.13
    n-dodecane 1.85
    diethylene glycol 56.27
    diisopropyl ether 14.07
    tert-amyl alcohol 56.13
    acetylacetone 116.39
    n-hexadecane 2.14
    acetophenone 83.06
    methyl propionate 56.97
    isopentyl acetate 44.84
    trichloroethylene 352.09
    n-nonanol 15.66
    cyclohexanol 40.82
    benzyl alcohol 51.32
    2-ethylhexanol 16.67
    isooctanol 10.15
    dipropyl ether 23.79
    1,2-dichlorobenzene 86.04
    ethyl lactate 31.34
    propylene carbonate 115.84
    n-methylformamide 90.34
    2-pentanol 19.63
    n-pentane 4.26
    1-propoxy-2-propanol 43.11
    1-methoxy-2-propyl acetate 59.61
    2-(2-methoxypropoxy) propanol 71.84
    mesitylene 20.12
    ε-caprolactone 147.27
    p-cymene 16.62
    epichlorohydrin 234.41
    1,1,1-trichloroethane 141.96
    2-aminoethanol 23.85
    morpholine-4-carbaldehyde 250.04
    sulfolane 390.52
    2,2,4-trimethylpentane 4.39
    2-methyltetrahydrofuran 140.65
    n-hexyl acetate 49.54
    isooctane 2.21
    2-(2-butoxyethoxy)ethanol 74.41
    sec-butyl acetate 35.66
    tert-butyl acetate 61.57
    decalin 9.14
    glycerin 38.77
    diglyme 152.8
    acrylic acid 66.66
    isopropyl myristate 21.56
    n-butyric acid 70.97
    acetyl acetate 67.22
    di(2-ethylhexyl) phthalate 30.05
    ethyl propionate 46.91
    nitromethane 257.36
    1,2-diethoxyethane 63.19
    benzonitrile 71.31
    trioctyl phosphate 15.65
    1-bromopropane 75.61
    gamma-valerolactone 283.03
    n-decanol 11.49
    triethyl phosphate 36.42
    4-methyl-2-pentanol 13.96
    propionitrile 49.85
    vinylene carbonate 107.35
    1,1,2-trichlorotrifluoroethane 189.13
    DMS 57.64
    cumene 22.13
    2-octanol 8.77
    2-hexanone 51.74
    octyl acetate 25.76
    limonene 23.5
    1,2-dimethoxyethane 165.26
    ethyl orthosilicate 34.35
    tributyl phosphate 26.91
    diacetone alcohol 70.06
    N,N-dimethylaniline 58.58
    acrylonitrile 79.43
    aniline 51.84
    1,3-propanediol 36.93
    bromobenzene 84.78
    dibromomethane 202.84
    1,1,2,2-tetrachloroethane 299.99
    2-methyl-cyclohexyl acetate 49.22
    tetrabutyl urea 39.61
    diisobutyl methanol 12.63
    2-phenylethanol 36.82
    styrene 39.07
    dioctyl adipate 44.65
    dimethyl sulfate 86.94
    ethyl butyrate 41.47
    methyl lactate 38.7
    butyl lactate 30.05
    diethyl carbonate 36.13
    propanediol butyl ether 38.89
    triethyl orthoformate 37.82
    p-tert-butyltoluene 15.83
    methyl 4-tert-butylbenzoate 60.03
    morpholine 155.1
    tert-butylamine 42.09
    n-dodecanol 8.79
    dimethoxymethane 89.83
    ethylene carbonate 75.79
    cyrene 85.23
    2-ethoxyethyl acetate 49.0
    2-ethylhexyl acetate 37.3
    1,2,4-trichlorobenzene 110.65
    4-methylpyridine 138.82
    dibutyl ether 29.45
    2,6-dimethyl-4-heptanol 12.63
    DEF 102.54
    dimethyl isosorbide 142.36
    tetrachloroethylene 162.14
    eugenol 56.03
    triacetin 82.16
    span 80 53.26
    1,4-butanediol 16.61
    1,1-dichloroethane 143.34
    2-methyl-1-pentanol 28.41
    methyl formate 64.28
    2-methyl-1-butanol 26.47
    n-decane 3.09
    butyronitrile 49.45
    3,7-dimethyl-1-octanol 19.99
    1-chlorooctane 14.42
    1-chlorotetradecane 6.33
    n-nonane 2.86
    undecane 2.28
    tert-butylcyclohexane 7.45
    cyclooctane 3.28
    cyclopentanol 56.14
    tetrahydropyran 97.87
    tert-amyl methyl ether 49.4
    2,5,8-trioxanonane 130.13
    1-hexene 24.23
    2-isopropoxyethanol 47.86
    2,2,2-trifluoroethanol 52.07
    methyl butyrate 64.23

    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
Osmanthus headspace (flowers) (China) 3 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. latifolius Makino, fam. Oleaceae 1.8%