1-Hydroxy-3-octanone

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  • Identifiers

    CAS number
    7786-52-9

    Molecular formula
    C8H16O2

    SMILES
    CCCCCC(=O)CCO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 63.77%
    Cheesy 51.53%
    Earthy 51.13%
    Fatty 49.62%
    Mushroom 47.36%
    Oily 45.0%
    Fruity 44.29%
    Herbal 43.77%
    Sweet 40.04%
    Musty 39.17%

     

    Flavor
    Cheese 43.28%
    Sweet 40.18%
    Fatty 37.28%
    Fruity 35.34%
    Sweat 31.71%
    Oily 30.48%
    Herbal 29.43%
    Rancid 29.21%
    Sour 29.1%
    Mushroom 27.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.59 (weak base)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    240°C

    Flash point

    • 106.25 ˚C est.

  • Synonyms

    • 1-Hydroxy-3-octanone
    • 1-HYDROXYOCTAN-3-ONE
    • FEMA 2804
    • (2s)-hydroxy-3-octanone
    • SCHEMBL1022555
    • CHEBI:179949
    • VGFJNJIGFHOBEJ-UHFFFAOYSA-N
    • DTXSID801315080
    • LMFA05000602
    • 7786-52-9
    • 971-400-9

  • Applications

    1-Hydroxy-3-octanone (CAS 7786-52-9) is primarily used as a fragrance-related compound, serving as an odorant or fragrance ingredient in perfumery and cosmetic formulations, contributing fruity and clean note features. It is commonly used as an intermediate in the synthesis of fragrance and flavor compounds, enabling further functionalization to produce related aroma materials. In cosmetics and personal care, it may appear as a fragrance component in lotions, creams, and cleansers. In industrial manufacturing, it can function as an intermediate for the production of specialty fragrances and related chemicals, and may be used as an odorant additive in household products to impart specific scents. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7205.34
    methanol 10978.58
    isopropanol 5548.67
    water 7.12
    ethyl acetate 1473.17
    n-propanol 4711.67
    acetone 4729.2
    n-butanol 3871.08
    acetonitrile 1963.35
    DMF 3492.66
    toluene 223.44
    isobutanol 2838.79
    1,4-dioxane 2682.66
    methyl acetate 1143.6
    THF 3904.27
    2-butanone 1568.04
    n-pentanol 1810.28
    sec-butanol 2638.98
    n-hexane 190.14
    ethylene glycol 1517.36
    NMP 1754.88
    cyclohexane 263.2
    DMSO 4841.49
    n-butyl acetate 1019.71
    n-octanol 473.28
    chloroform 1956.96
    n-propyl acetate 823.12
    acetic acid 4044.0
    dichloromethane 1663.06
    cyclohexanone 2367.14
    propylene glycol 1983.61
    isopropyl acetate 760.75
    DMAc 1230.68
    2-ethoxyethanol 1746.63
    isopentanol 2209.33
    n-heptane 108.5
    ethyl formate 1125.95
    1,2-dichloroethane 1158.91
    n-hexanol 1688.52
    2-methoxyethanol 4235.77
    isobutyl acetate 459.0
    tetrachloromethane 342.83
    n-pentyl acetate 470.44
    transcutol 3795.28
    n-heptanol 482.93
    ethylbenzene 132.75
    MIBK 680.65
    2-propoxyethanol 1882.55
    tert-butanol 4194.36
    MTBE 1390.54
    2-butoxyethanol 819.84
    propionic acid 2239.97
    o-xylene 163.51
    formic acid 1386.53
    diethyl ether 1487.29
    m-xylene 189.98
    p-xylene 192.91
    chlorobenzene 450.42
    dimethyl carbonate 231.14
    n-octane 30.06
    formamide 1481.05
    cyclopentanone 2381.43
    2-pentanone 1553.54
    anisole 388.84
    cyclopentyl methyl ether 1380.94
    gamma-butyrolactone 2330.31
    1-methoxy-2-propanol 2540.48
    pyridine 1337.97
    3-pentanone 691.49
    furfural 1521.36
    n-dodecane 21.41
    diethylene glycol 1569.09
    diisopropyl ether 293.23
    tert-amyl alcohol 2020.62
    acetylacetone 1189.68
    n-hexadecane 23.93
    acetophenone 360.08
    methyl propionate 844.95
    isopentyl acetate 768.59
    trichloroethylene 1924.74
    n-nonanol 364.09
    cyclohexanol 2105.75
    benzyl alcohol 506.72
    2-ethylhexanol 663.94
    isooctanol 343.78
    dipropyl ether 680.31
    1,2-dichlorobenzene 365.01
    ethyl lactate 351.45
    propylene carbonate 1017.88
    n-methylformamide 2234.83
    2-pentanol 1802.66
    n-pentane 170.42
    1-propoxy-2-propanol 1341.95
    1-methoxy-2-propyl acetate 696.0
    2-(2-methoxypropoxy) propanol 555.09
    mesitylene 128.97
    ε-caprolactone 1563.11
    p-cymene 119.0
    epichlorohydrin 2000.08
    1,1,1-trichloroethane 1018.21
    2-aminoethanol 2839.08
    morpholine-4-carbaldehyde 1695.24
    sulfolane 2258.12
    2,2,4-trimethylpentane 60.44
    2-methyltetrahydrofuran 2480.89
    n-hexyl acetate 657.63
    isooctane 53.68
    2-(2-butoxyethoxy)ethanol 987.8
    sec-butyl acetate 430.36
    tert-butyl acetate 725.22
    decalin 74.5
    glycerin 1791.59
    diglyme 1606.35
    acrylic acid 1613.28
    isopropyl myristate 201.9
    n-butyric acid 3346.99
    acetyl acetate 627.78
    di(2-ethylhexyl) phthalate 203.27
    ethyl propionate 515.24
    nitromethane 3540.23
    1,2-diethoxyethane 887.69
    benzonitrile 657.02
    trioctyl phosphate 173.5
    1-bromopropane 777.07
    gamma-valerolactone 2512.69
    n-decanol 243.23
    triethyl phosphate 189.26
    4-methyl-2-pentanol 647.17
    propionitrile 1526.42
    vinylene carbonate 839.87
    1,1,2-trichlorotrifluoroethane 1575.64
    DMS 355.28
    cumene 107.49
    2-octanol 308.34
    2-hexanone 930.91
    octyl acetate 272.97
    limonene 256.64
    1,2-dimethoxyethane 2172.7
    ethyl orthosilicate 198.84
    tributyl phosphate 216.76
    diacetone alcohol 995.96
    N,N-dimethylaniline 236.3
    acrylonitrile 1519.99
    aniline 709.91
    1,3-propanediol 3293.92
    bromobenzene 373.66
    dibromomethane 1142.09
    1,1,2,2-tetrachloroethane 1620.6
    2-methyl-cyclohexyl acetate 361.42
    tetrabutyl urea 273.54
    diisobutyl methanol 306.04
    2-phenylethanol 494.76
    styrene 197.03
    dioctyl adipate 320.2
    dimethyl sulfate 402.84
    ethyl butyrate 533.96
    methyl lactate 542.8
    butyl lactate 453.51
    diethyl carbonate 290.59
    propanediol butyl ether 928.35
    triethyl orthoformate 350.74
    p-tert-butyltoluene 121.24
    methyl 4-tert-butylbenzoate 339.96
    morpholine 3743.84
    tert-butylamine 2222.76
    n-dodecanol 172.25
    dimethoxymethane 1262.32
    ethylene carbonate 821.45
    cyrene 435.71
    2-ethoxyethyl acetate 548.1
    2-ethylhexyl acetate 494.66
    1,2,4-trichlorobenzene 422.02
    4-methylpyridine 1149.95
    dibutyl ether 477.22
    2,6-dimethyl-4-heptanol 306.04
    DEF 1410.11
    dimethyl isosorbide 735.31
    tetrachloroethylene 1188.41
    eugenol 379.52
    triacetin 503.83
    span 80 613.39
    1,4-butanediol 1063.64
    1,1-dichloroethane 1367.82
    2-methyl-1-pentanol 1018.58
    methyl formate 1164.68
    2-methyl-1-butanol 1807.26
    n-decane 40.92
    butyronitrile 1966.94
    3,7-dimethyl-1-octanol 396.85
    1-chlorooctane 201.57
    1-chlorotetradecane 62.93
    n-nonane 43.87
    undecane 27.86
    tert-butylcyclohexane 72.63
    cyclooctane 53.87
    cyclopentanol 2658.21
    tetrahydropyran 3049.49
    tert-amyl methyl ether 702.76
    2,5,8-trioxanonane 957.23
    1-hexene 666.54
    2-isopropoxyethanol 960.74
    2,2,2-trifluoroethanol 768.92
    methyl butyrate 923.47

    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