3-hydroxyheptanoic Acid

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  • Identifiers

    CAS number
    17587-29-0

    Molecular formula
    C7H14O3

    SMILES
    CCCCC(CC(=O)O)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 84.38%
    Cheesy 68.42%
    Sour 45.73%
    Fatty 44.58%
    Dairy 40.54%
    Sweaty 38.12%
    Oily 36.85%
    Buttery 32.92%
    Tropical 32.86%
    Milky 31.24%

     

    Flavor
    Cheese 43.07%
    Odorless 43.06%
    Sour 39.27%
    Sweat 36.48%
    Acidic 33.31%
    Rancid 31.98%
    Fatty 31.2%
    Cheesy 29.45%
    Sweaty 28.18%
    Oily 27.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    7.22 (neutral)

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    268°C

    Flash point

    • 125.35 ˚C est.

  • Synonyms

    • 3-hydroxyheptanoic Acid
    • 17587-29-0
    • CHEBI:132838
    • DTXSID00388971
    • RefChem:94316
    • DTXCID30339855
    • 837-817-4
    • Heptanoic acid, 3-hydroxy-
    • rac-3-Hydroxyheptanoic Acid
    • MFCD07778469
    • 3-HYDROXYHEPTANOICACID
    • (+/-)-3-Hydroxyheptanoic Acid; rac-?-Hydroxyheptanoic Acid
    • SCHEMBL239580
    • SCHEMBL925934
    • OXSSIXNFGTZQMZ-UHFFFAOYSA-N
    • SAA58729
    • AKOS011683009
    • SB85049
    • 7:0(3-OH)
    • CS-0232951
    • F87179
    • EN300-1296784
    • 17587-29-0

  • Applications

    3-hydroxyheptanoic acid is a hydroxy fatty acid that serves as a versatile chemical intermediate and building block. In polymer chemistry, it is used as a monomer or co-monomer for biodegradable polyesters and related polymers, including polyhydroxyalkanoates (PHAs), and can be converted to hydroxy-functional esters for specialty polymers. In industrial manufacturing, it serves as an intermediate to prepare esters, plasticizers, and lubricant additives. In cosmetics/personal care, it can be used to synthesize hydroxy-functional ester derivatives employed as emollients or components of cosmetic formulations. In coatings and inks, it can act as a reactive monomer or feedstock for hydroxy-functional polymers used in specialty coatings. In pharmaceutical research, it may be used as a chiral building block for synthesis of drug intermediates and other fine chemicals, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 192.67
    methanol 570.57
    isopropanol 69.43
    water 73.7
    ethyl acetate 33.58
    n-propanol 119.19
    acetone 110.39
    n-butanol 87.36
    acetonitrile 18.38
    DMF 402.63
    toluene 7.91
    isobutanol 94.76
    1,4-dioxane 47.66
    methyl acetate 29.15
    THF 333.45
    2-butanone 55.7
    n-pentanol 69.61
    sec-butanol 64.82
    n-hexane 6.52
    ethylene glycol 387.83
    NMP 740.21
    cyclohexane 3.71
    DMSO 1062.6
    n-butyl acetate 72.63
    n-octanol 44.42
    chloroform 12.2
    n-propyl acetate 39.96
    acetic acid 398.24
    dichloromethane 10.85
    cyclohexanone 163.27
    propylene glycol 362.74
    isopropyl acetate 37.88
    DMAc 303.28
    2-ethoxyethanol 178.09
    isopentanol 104.28
    n-heptane 4.54
    ethyl formate 58.22
    1,2-dichloroethane 18.41
    n-hexanol 123.61
    2-methoxyethanol 394.14
    isobutyl acetate 32.26
    tetrachloromethane 9.98
    n-pentyl acetate 38.3
    transcutol 421.9
    n-heptanol 53.52
    ethylbenzene 9.91
    MIBK 75.45
    2-propoxyethanol 278.73
    tert-butanol 191.68
    MTBE 34.06
    2-butoxyethanol 120.01
    propionic acid 229.16
    o-xylene 15.77
    formic acid 480.52
    diethyl ether 11.94
    m-xylene 18.57
    p-xylene 12.85
    chlorobenzene 12.69
    dimethyl carbonate 43.44
    n-octane 1.44
    formamide 390.96
    cyclopentanone 350.75
    2-pentanone 66.16
    anisole 32.87
    cyclopentyl methyl ether 122.49
    gamma-butyrolactone 437.06
    1-methoxy-2-propanol 277.88
    pyridine 30.6
    3-pentanone 34.76
    furfural 275.69
    n-dodecane 1.24
    diethylene glycol 334.29
    diisopropyl ether 12.25
    tert-amyl alcohol 154.7
    acetylacetone 123.67
    n-hexadecane 1.37
    acetophenone 58.98
    methyl propionate 50.4
    isopentyl acetate 76.8
    trichloroethylene 42.31
    n-nonanol 36.2
    cyclohexanol 93.41
    benzyl alcohol 57.07
    2-ethylhexanol 59.51
    isooctanol 44.37
    dipropyl ether 28.41
    1,2-dichlorobenzene 23.02
    ethyl lactate 73.06
    propylene carbonate 192.05
    n-methylformamide 274.81
    2-pentanol 48.71
    n-pentane 2.56
    1-propoxy-2-propanol 185.59
    1-methoxy-2-propyl acetate 115.04
    2-(2-methoxypropoxy) propanol 154.19
    mesitylene 18.01
    ε-caprolactone 164.39
    p-cymene 15.84
    epichlorohydrin 172.42
    1,1,1-trichloroethane 19.9
    2-aminoethanol 464.61
    morpholine-4-carbaldehyde 347.87
    sulfolane 884.0
    2,2,4-trimethylpentane 4.9
    2-methyltetrahydrofuran 143.51
    n-hexyl acetate 67.65
    isooctane 4.84
    2-(2-butoxyethoxy)ethanol 192.39
    sec-butyl acetate 28.58
    tert-butyl acetate 82.11
    decalin 5.44
    glycerin 602.95
    diglyme 238.36
    acrylic acid 261.85
    isopropyl myristate 23.26
    n-butyric acid 197.48
    acetyl acetate 37.25
    di(2-ethylhexyl) phthalate 48.49
    ethyl propionate 39.21
    nitromethane 285.6
    1,2-diethoxyethane 35.42
    benzonitrile 33.68
    trioctyl phosphate 38.44
    1-bromopropane 6.73
    gamma-valerolactone 369.44
    n-decanol 26.19
    triethyl phosphate 37.53
    4-methyl-2-pentanol 52.66
    propionitrile 22.71
    vinylene carbonate 121.4
    1,1,2-trichlorotrifluoroethane 289.99
    DMS 58.85
    cumene 13.87
    2-octanol 29.37
    2-hexanone 55.25
    octyl acetate 34.0
    limonene 24.16
    1,2-dimethoxyethane 152.35
    ethyl orthosilicate 33.74
    tributyl phosphate 45.28
    diacetone alcohol 242.75
    N,N-dimethylaniline 40.34
    acrylonitrile 42.64
    aniline 32.02
    1,3-propanediol 323.0
    bromobenzene 9.24
    dibromomethane 8.75
    1,1,2,2-tetrachloroethane 42.91
    2-methyl-cyclohexyl acetate 60.94
    tetrabutyl urea 62.04
    diisobutyl methanol 36.93
    2-phenylethanol 70.45
    styrene 8.07
    dioctyl adipate 50.93
    dimethyl sulfate 160.7
    ethyl butyrate 48.86
    methyl lactate 131.41
    butyl lactate 84.08
    diethyl carbonate 32.52
    propanediol butyl ether 199.58
    triethyl orthoformate 40.29
    p-tert-butyltoluene 16.65
    methyl 4-tert-butylbenzoate 91.7
    morpholine 96.43
    tert-butylamine 72.52
    n-dodecanol 18.45
    dimethoxymethane 114.84
    ethylene carbonate 92.14
    cyrene 183.64
    2-ethoxyethyl acetate 54.5
    2-ethylhexyl acetate 50.74
    1,2,4-trichlorobenzene 33.09
    4-methylpyridine 33.99
    dibutyl ether 17.38
    2,6-dimethyl-4-heptanol 36.93
    DEF 96.31
    dimethyl isosorbide 237.72
    tetrachloroethylene 42.7
    eugenol 100.17
    triacetin 80.56
    span 80 138.96
    1,4-butanediol 142.96
    1,1-dichloroethane 10.33
    2-methyl-1-pentanol 79.57
    methyl formate 170.21
    2-methyl-1-butanol 97.01
    n-decane 1.96
    butyronitrile 24.31
    3,7-dimethyl-1-octanol 53.79
    1-chlorooctane 9.78
    1-chlorotetradecane 4.01
    n-nonane 1.85
    undecane 1.52
    tert-butylcyclohexane 6.36
    cyclooctane 2.28
    cyclopentanol 195.92
    tetrahydropyran 36.01
    tert-amyl methyl ether 40.48
    2,5,8-trioxanonane 195.47
    1-hexene 14.19
    2-isopropoxyethanol 112.8
    2,2,2-trifluoroethanol 158.21
    methyl butyrate 63.1

    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