3-Hydroxynonanoic acid

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  • Identifiers

    CAS number
    40165-87-5

    Molecular formula
    C9H18O3

    SMILES
    CCCCCCC(CC(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 64.55%
    Fruity 62.79%
    Cheesy 55.52%
    Oily 52.43%
    Dairy 46.84%
    Waxy 46.52%
    Green 44.14%
    Milky 37.85%
    Creamy 35.47%
    Sour 34.33%

     

    Flavor
    Fatty 49.46%
    Cheese 42.66%
    Oily 36.86%
    Green 36.54%
    Odorless 34.69%
    Waxy 34.66%
    Sour 32.32%
    Sweat 31.4%
    Mild 29.01%
    Rancid 28.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.88 (neutral)

    Molecular weight
    174.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Melting point expt.

    • 61 °C

    Flash point

    • 145.22 ˚C est.

  • Synonyms

    • 3-HYDROXYNONANOIC ACID
    • DTXSID70955371
    • RefChem:1068011
    • DTXCID601383366
    • 40165-87-5
    • 88930-09-0
    • 33796-87-1
    • (+/-)-3-Hydroxynonanoic Acid
    • MFCD00210303
    • (+)-3-hydroxy pelargonic acid
    • 3-hydroxy-nonanoic acid
    • [R,(-)]-3-Hydroxynonanoic acid
    • 3-oxidanylnonanoic acid
    • 3-HYDROXYNONANOICACID
    • beta-hydroxynonanoic acid
    • ()-3-Hydroxynonanoic acid
    • SCHEMBL310347
    • orb2283091
    • CHEBI:156185
    • QBA16587
    • FA 9:0+1O
    • LMFA01050025
    • AKOS011680661
    • HY-W282368
    • SB85216
    • SS-4993
    • Nonanoic acid, 3-hydroxy-, (+/-)-
    • Nonanoic acid, 3-hydroxy-, (A+/-)-
    • PD077260
    • 9:0(3-OH)
    • DB-049542
    • CS-0327437
    • G63365
    • Nonanoic acid, 3-hydroxy-, (? inverted exclamation markA)-
    • 33796-87-1

  • Applications

    3-Hydroxynonanoic acid is primarily used as a building block for hydroxy-functional fatty acid derivatives. In industrial manufacturing, it serves as an intermediate for producing polyester-based polyols used in coatings and adhesives, as well as elastomeric materials. It also acts as a precursor to fatty esters and surfactants that support cosmetic and household-cleaning formulations. Additionally, it can be a starting material for specialty lubricants and plasticizers, improving polymer flexibility and performance. In perfumery, it may function as a fragrance intermediate or contribute to fragrance-related fatty acid derivatives, and it may be considered for pharmaceutical synthesis under appropriate regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 797.78
    methanol 1470.76
    isopropanol 449.75
    water 3.56
    ethyl acetate 143.99
    n-propanol 496.32
    acetone 478.52
    n-butanol 394.37
    acetonitrile 70.53
    DMF 1021.61
    toluene 21.45
    isobutanol 371.23
    1,4-dioxane 236.86
    methyl acetate 96.66
    THF 1100.88
    2-butanone 178.78
    n-pentanol 305.89
    sec-butanol 267.11
    n-hexane 29.93
    ethylene glycol 471.5
    NMP 799.74
    cyclohexane 14.87
    DMSO 2271.17
    n-butyl acetate 187.01
    n-octanol 111.58
    chloroform 63.15
    n-propyl acetate 134.32
    acetic acid 647.48
    dichloromethane 48.42
    cyclohexanone 443.54
    propylene glycol 631.59
    isopropyl acetate 141.9
    DMAc 482.21
    2-ethoxyethanol 452.31
    isopentanol 393.69
    n-heptane 11.79
    ethyl formate 119.29
    1,2-dichloroethane 74.98
    n-hexanol 370.81
    2-methoxyethanol 1031.65
    isobutyl acetate 110.54
    tetrachloromethane 22.05
    n-pentyl acetate 91.9
    transcutol 1019.12
    n-heptanol 126.89
    ethylbenzene 23.2
    MIBK 224.61
    2-propoxyethanol 603.79
    tert-butanol 729.28
    MTBE 166.5
    2-butoxyethanol 259.23
    propionic acid 381.5
    o-xylene 32.26
    formic acid 387.05
    diethyl ether 77.4
    m-xylene 44.81
    p-xylene 32.32
    chlorobenzene 35.88
    dimethyl carbonate 70.75
    n-octane 4.13
    formamide 373.13
    cyclopentanone 725.04
    2-pentanone 249.33
    anisole 79.23
    cyclopentyl methyl ether 363.45
    gamma-butyrolactone 688.64
    1-methoxy-2-propanol 800.9
    pyridine 96.82
    3-pentanone 104.09
    furfural 374.38
    n-dodecane 3.34
    diethylene glycol 548.51
    diisopropyl ether 52.99
    tert-amyl alcohol 418.41
    acetylacetone 322.34
    n-hexadecane 3.78
    acetophenone 106.86
    methyl propionate 142.08
    isopentyl acetate 190.2
    trichloroethylene 137.83
    n-nonanol 91.53
    cyclohexanol 329.12
    benzyl alcohol 117.33
    2-ethylhexanol 148.27
    isooctanol 105.41
    dipropyl ether 99.51
    1,2-dichlorobenzene 47.76
    ethyl lactate 125.45
    propylene carbonate 289.6
    n-methylformamide 489.47
    2-pentanol 234.44
    n-pentane 12.01
    1-propoxy-2-propanol 421.51
    1-methoxy-2-propyl acetate 236.25
    2-(2-methoxypropoxy) propanol 249.97
    mesitylene 41.31
    ε-caprolactone 336.34
    p-cymene 28.41
    epichlorohydrin 438.46
    1,1,1-trichloroethane 65.61
    2-aminoethanol 793.02
    morpholine-4-carbaldehyde 582.72
    sulfolane 1112.05
    2,2,4-trimethylpentane 11.09
    2-methyltetrahydrofuran 461.1
    n-hexyl acetate 159.32
    isooctane 12.99
    2-(2-butoxyethoxy)ethanol 384.35
    sec-butyl acetate 91.46
    tert-butyl acetate 231.27
    decalin 13.47
    glycerin 764.41
    diglyme 524.62
    acrylic acid 303.71
    isopropyl myristate 53.49
    n-butyric acid 511.94
    acetyl acetate 90.29
    di(2-ethylhexyl) phthalate 76.6
    ethyl propionate 107.48
    nitromethane 508.5
    1,2-diethoxyethane 131.86
    benzonitrile 83.88
    trioctyl phosphate 64.6
    1-bromopropane 34.47
    gamma-valerolactone 731.39
    n-decanol 65.16
    triethyl phosphate 61.42
    4-methyl-2-pentanol 179.05
    propionitrile 85.76
    vinylene carbonate 186.13
    1,1,2-trichlorotrifluoroethane 447.65
    DMS 99.08
    cumene 28.36
    2-octanol 74.72
    2-hexanone 181.36
    octyl acetate 74.02
    limonene 48.81
    1,2-dimethoxyethane 506.07
    ethyl orthosilicate 60.69
    tributyl phosphate 75.58
    diacetone alcohol 516.61
    N,N-dimethylaniline 77.89
    acrylonitrile 110.81
    aniline 83.71
    1,3-propanediol 783.58
    bromobenzene 27.43
    dibromomethane 37.58
    1,1,2,2-tetrachloroethane 152.5
    2-methyl-cyclohexyl acetate 120.35
    tetrabutyl urea 103.31
    diisobutyl methanol 84.09
    2-phenylethanol 134.86
    styrene 22.14
    dioctyl adipate 100.71
    dimethyl sulfate 192.01
    ethyl butyrate 109.66
    methyl lactate 214.02
    butyl lactate 145.95
    diethyl carbonate 62.38
    propanediol butyl ether 359.33
    triethyl orthoformate 84.53
    p-tert-butyltoluene 31.75
    methyl 4-tert-butylbenzoate 141.05
    morpholine 475.5
    tert-butylamine 301.08
    n-dodecanol 44.54
    dimethoxymethane 357.8
    ethylene carbonate 168.1
    cyrene 241.28
    2-ethoxyethyl acetate 124.7
    2-ethylhexyl acetate 122.85
    1,2,4-trichlorobenzene 66.17
    4-methylpyridine 105.86
    dibutyl ether 62.45
    2,6-dimethyl-4-heptanol 84.09
    DEF 270.25
    dimethyl isosorbide 386.11
    tetrachloroethylene 116.75
    eugenol 153.69
    triacetin 147.65
    span 80 240.5
    1,4-butanediol 307.78
    1,1-dichloroethane 52.15
    2-methyl-1-pentanol 242.73
    methyl formate 237.42
    2-methyl-1-butanol 304.16
    n-decane 5.77
    butyronitrile 122.54
    3,7-dimethyl-1-octanol 115.11
    1-chlorooctane 30.79
    1-chlorotetradecane 11.17
    n-nonane 5.63
    undecane 4.17
    tert-butylcyclohexane 16.31
    cyclooctane 6.72
    cyclopentanol 546.63
    tetrahydropyran 231.54
    tert-amyl methyl ether 141.52
    2,5,8-trioxanonane 379.11
    1-hexene 75.24
    2-isopropoxyethanol 308.32
    2,2,2-trifluoroethanol 168.29
    methyl butyrate 167.93

    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