2-Hydroxyheptanoic acid

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  • Identifiers

    CAS number
    636-69-1

    Molecular formula
    C7H14O3

    SMILES
    CCCCCC(C(=O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 75.14%
    Cheesy 52.48%
    Fatty 51.01%
    Buttery 45.42%
    Green 44.07%
    Dairy 42.0%
    Oily 40.32%
    Sweet 38.01%
    Creamy 37.33%
    Milky 36.82%

     

    Flavor
    Odorless 41.84%
    Sour 35.03%
    Cheese 33.98%
    Fatty 33.06%
    Acidic 28.02%
    Oily 27.72%
    Sweat 26.72%
    Waxy 25.38%
    Cheesy 23.58%
    Sweet 22.95%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.71 (neutral)

    Molecular weight
    146.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    253°C

    Flash point

    • 122.83 ˚C est.

  • Synonyms

    • 2-Hydroxyheptanoic acid
    • 2-hydroxy enanthoic acid
    • 2-hydroxy-heptanoic acid
    • Heptanoic acid, 2-hydroxy-
    • CHEBI:73752
    • DTXSID30979816
    • 2-hydroxyheptanoate
    • 2-Hydroxy enanthoate
    • RefChem:87560
    • DTXCID70835861
    • 843-928-9
    • 636-69-1
    • MFCD01111423
    • 2-Hydroxyheptanoicacid
    • SCHEMBL44151
    • SCHEMBL1007253
    • SCHEMBL8923977
    • AAA63669
    • LMFA01050016
    • AKOS004906205
    • SY207314
    • CS-0242197
    • EN300-245923
    • G46271
    • F657957
    • Q27144085
    • Z788000584
    • 636-69-1

  • Applications

    2-Hydroxyheptanoic acid (CAS 636-69-1) is primarily used as a chemical intermediate and building block in organic synthesis; in industry it is commonly evaluated for producing hydroxy fatty acid–derived esters that serve as surfactants for household and personal care formulations, as a component or co-monomer in polymer and coating resins (including polyester and polyurethane systems), as a precursor to cosmetic emollient esters, and as a chiral building block in the preparation of pharmaceutical-grade fine chemicals, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 358.75
    methanol 1166.56
    isopropanol 138.35
    water 35.9
    ethyl acetate 166.47
    n-propanol 168.29
    acetone 161.34
    n-butanol 145.64
    acetonitrile 31.83
    DMF 430.56
    toluene 13.4
    isobutanol 131.24
    1,4-dioxane 97.96
    methyl acetate 64.0
    THF 282.49
    2-butanone 77.59
    n-pentanol 92.47
    sec-butanol 107.11
    n-hexane 6.54
    ethylene glycol 544.86
    NMP 938.18
    cyclohexane 8.61
    DMSO 2355.33
    n-butyl acetate 181.33
    n-octanol 56.84
    chloroform 23.8
    n-propyl acetate 78.8
    acetic acid 774.07
    dichloromethane 33.05
    cyclohexanone 257.43
    propylene glycol 391.42
    isopropyl acetate 127.14
    DMAc 375.66
    2-ethoxyethanol 336.82
    isopentanol 200.87
    n-heptane 6.96
    ethyl formate 119.59
    1,2-dichloroethane 55.55
    n-hexanol 181.63
    2-methoxyethanol 878.44
    isobutyl acetate 45.67
    tetrachloromethane 15.98
    n-pentyl acetate 79.84
    transcutol 973.24
    n-heptanol 82.48
    ethylbenzene 16.34
    MIBK 127.23
    2-propoxyethanol 440.13
    tert-butanol 363.91
    MTBE 80.35
    2-butoxyethanol 214.32
    propionic acid 357.2
    o-xylene 26.59
    formic acid 960.64
    diethyl ether 31.37
    m-xylene 27.94
    p-xylene 19.38
    chlorobenzene 27.95
    dimethyl carbonate 74.64
    n-octane 2.76
    formamide 996.48
    cyclopentanone 377.63
    2-pentanone 134.77
    anisole 46.72
    cyclopentyl methyl ether 150.45
    gamma-butyrolactone 601.65
    1-methoxy-2-propanol 514.99
    pyridine 64.24
    3-pentanone 62.93
    furfural 451.41
    n-dodecane 2.2
    diethylene glycol 563.26
    diisopropyl ether 29.31
    tert-amyl alcohol 307.21
    acetylacetone 303.49
    n-hexadecane 2.36
    acetophenone 89.45
    methyl propionate 127.56
    isopentyl acetate 177.26
    trichloroethylene 105.78
    n-nonanol 49.66
    cyclohexanol 155.29
    benzyl alcohol 90.21
    2-ethylhexanol 107.77
    isooctanol 78.04
    dipropyl ether 42.66
    1,2-dichlorobenzene 48.39
    ethyl lactate 106.2
    propylene carbonate 296.39
    n-methylformamide 431.32
    2-pentanol 102.62
    n-pentane 4.37
    1-propoxy-2-propanol 316.91
    1-methoxy-2-propyl acetate 234.16
    2-(2-methoxypropoxy) propanol 206.58
    mesitylene 29.05
    ε-caprolactone 307.77
    p-cymene 28.0
    epichlorohydrin 278.57
    1,1,1-trichloroethane 35.49
    2-aminoethanol 633.32
    morpholine-4-carbaldehyde 556.41
    sulfolane 1238.8
    2,2,4-trimethylpentane 8.23
    2-methyltetrahydrofuran 189.29
    n-hexyl acetate 108.32
    isooctane 7.53
    2-(2-butoxyethoxy)ethanol 323.07
    sec-butyl acetate 62.66
    tert-butyl acetate 190.1
    decalin 8.92
    glycerin 670.63
    diglyme 455.67
    acrylic acid 367.87
    isopropyl myristate 36.97
    n-butyric acid 464.2
    acetyl acetate 120.32
    di(2-ethylhexyl) phthalate 64.72
    ethyl propionate 75.63
    nitromethane 631.41
    1,2-diethoxyethane 102.21
    benzonitrile 59.18
    trioctyl phosphate 52.7
    1-bromopropane 15.52
    gamma-valerolactone 568.52
    n-decanol 38.07
    triethyl phosphate 58.32
    4-methyl-2-pentanol 98.96
    propionitrile 30.85
    vinylene carbonate 197.88
    1,1,2-trichlorotrifluoroethane 471.74
    DMS 103.32
    cumene 20.65
    2-octanol 43.89
    2-hexanone 67.52
    octyl acetate 54.62
    limonene 43.96
    1,2-dimethoxyethane 217.42
    ethyl orthosilicate 53.33
    tributyl phosphate 63.99
    diacetone alcohol 438.68
    N,N-dimethylaniline 57.93
    acrylonitrile 64.84
    aniline 55.26
    1,3-propanediol 644.56
    bromobenzene 22.57
    dibromomethane 23.02
    1,1,2,2-tetrachloroethane 108.43
    2-methyl-cyclohexyl acetate 102.11
    tetrabutyl urea 85.47
    diisobutyl methanol 76.63
    2-phenylethanol 115.36
    styrene 15.72
    dioctyl adipate 75.83
    dimethyl sulfate 232.48
    ethyl butyrate 100.61
    methyl lactate 225.08
    butyl lactate 146.57
    diethyl carbonate 60.26
    propanediol butyl ether 291.1
    triethyl orthoformate 67.47
    p-tert-butyltoluene 30.26
    methyl 4-tert-butylbenzoate 135.32
    morpholine 167.52
    tert-butylamine 141.85
    n-dodecanol 28.67
    dimethoxymethane 185.37
    ethylene carbonate 151.12
    cyrene 225.37
    2-ethoxyethyl acetate 131.38
    2-ethylhexyl acetate 113.07
    1,2,4-trichlorobenzene 61.19
    4-methylpyridine 66.44
    dibutyl ether 29.34
    2,6-dimethyl-4-heptanol 76.63
    DEF 240.89
    dimethyl isosorbide 331.3
    tetrachloroethylene 114.54
    eugenol 140.3
    triacetin 127.4
    span 80 198.69
    1,4-butanediol 223.21
    1,1-dichloroethane 21.6
    2-methyl-1-pentanol 131.73
    methyl formate 267.18
    2-methyl-1-butanol 161.3
    n-decane 3.1
    butyronitrile 38.14
    3,7-dimethyl-1-octanol 88.66
    1-chlorooctane 15.56
    1-chlorotetradecane 6.96
    n-nonane 3.0
    undecane 2.51
    tert-butylcyclohexane 9.01
    cyclooctane 4.97
    cyclopentanol 229.87
    tetrahydropyran 54.63
    tert-amyl methyl ether 88.79
    2,5,8-trioxanonane 325.22
    1-hexene 13.98
    2-isopropoxyethanol 200.35
    2,2,2-trifluoroethanol 243.86
    methyl butyrate 121.7

    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