3-Hydroxybutanoic acid-3-hydroxypentanoic acid(1:1)

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  • Identifiers

    CAS number
    80181-31-3

    Molecular formula
    C9H18O6

    SMILES
    CCC(CC(=O)O)O.CC(CC(=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 76.93%
    Cheesy 58.0%
    Sour 45.62%
    Dairy 34.35%
    Sweaty 33.68%
    Buttery 31.4%
    Milky 29.81%
    Odorless 28.2%
    Sharp 27.92%
    Fatty 27.35%

     

    Flavor
    Odorless 59.99%
    Sour 39.31%
    Acidic 36.12%
    Pungent 32.61%
    Cheese 29.37%
    Rancid 28.78%
    Sweat 27.6%
    Cheesy 23.94%
    Sharp 23.56%
    Soy 23.36%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    7.34 (neutral)

    Molecular weight
    222.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    239°C

    Flash point

    • 118.54 ˚C est.

  • Synonyms

    • 80181-31-3
    • 3-hydroxybutanoic acid- 3-hydroxypentanoic acid(1:1)
    • 3-hydroxybutanoic acid;3-hydroxypentanoic acid
    • PHBV
    • P(HB-co-HV)
    • SCHEMBL451545
    • NSC179698
    • FP45123
    • NSC 179698
    • NSC-179698
    • SY393805
    • H55535
    • 80181-31-3

  • Applications

    For 3-Hydroxybutanoic acid-3-hydroxypentanoic acid(1:1) (CAS 80181-31-3), the dihydroxy dicarboxylic acid is primarily used as a chemical-building block and intermediate in polymer synthesis, particularly as a monomer or crosslinking component for biodegradable polyesters and related resins used in coatings, inks, and adhesives; it can function as a chain extender or compatibility additive in polyester and polyurethane systems; it is evaluated as a chiral pharmaceutical and fine-chemical intermediate; and it may serve as a precursor for fragrance or flavor ester derivatives within fragrance/formulation chemistry. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 130.25
    methanol 296.73
    isopropanol 97.56
    water 276.76
    ethyl acetate 24.91
    n-propanol 94.86
    acetone 82.77
    n-butanol 65.76
    acetonitrile 27.73
    DMF 595.2
    toluene 3.1
    isobutanol 69.31
    1,4-dioxane 65.36
    methyl acetate 28.25
    THF 279.74
    2-butanone 35.28
    n-pentanol 54.0
    sec-butanol 60.33
    n-hexane 2.72
    ethylene glycol 315.72
    NMP 312.64
    cyclohexane 1.2
    DMSO 467.02
    n-butyl acetate 20.77
    n-octanol 30.33
    chloroform 9.82
    n-propyl acetate 18.61
    acetic acid 145.03
    dichloromethane 8.81
    cyclohexanone 59.63
    propylene glycol 297.39
    isopropyl acetate 21.02
    DMAc 289.68
    2-ethoxyethanol 142.85
    isopentanol 59.35
    n-heptane 2.51
    ethyl formate 45.26
    1,2-dichloroethane 9.9
    n-hexanol 67.58
    2-methoxyethanol 303.74
    isobutyl acetate 13.4
    tetrachloromethane 5.09
    n-pentyl acetate 16.31
    transcutol 119.7
    n-heptanol 37.7
    ethylbenzene 4.96
    MIBK 35.88
    2-propoxyethanol 155.64
    tert-butanol 139.78
    MTBE 24.81
    2-butoxyethanol 75.7
    propionic acid 110.78
    o-xylene 7.04
    formic acid 234.41
    diethyl ether 11.36
    m-xylene 8.47
    p-xylene 6.29
    chlorobenzene 5.05
    dimethyl carbonate 28.28
    n-octane 1.24
    formamide 159.4
    cyclopentanone 133.51
    2-pentanone 39.57
    anisole 21.62
    cyclopentyl methyl ether 48.39
    gamma-butyrolactone 160.87
    1-methoxy-2-propanol 217.66
    pyridine 17.2
    3-pentanone 19.25
    furfural 123.7
    n-dodecane 1.33
    diethylene glycol 224.76
    diisopropyl ether 7.08
    tert-amyl alcohol 82.48
    acetylacetone 61.87
    n-hexadecane 1.42
    acetophenone 28.84
    methyl propionate 37.72
    isopentyl acetate 21.83
    trichloroethylene 18.37
    n-nonanol 25.48
    cyclohexanol 43.35
    benzyl alcohol 37.45
    2-ethylhexanol 28.89
    isooctanol 28.8
    dipropyl ether 15.76
    1,2-dichlorobenzene 8.81
    ethyl lactate 44.21
    propylene carbonate 69.05
    n-methylformamide 227.19
    2-pentanol 38.15
    n-pentane 1.63
    1-propoxy-2-propanol 87.1
    1-methoxy-2-propyl acetate 40.43
    2-(2-methoxypropoxy) propanol 72.44
    mesitylene 8.25
    ε-caprolactone 58.81
    p-cymene 7.36
    epichlorohydrin 88.27
    1,1,1-trichloroethane 10.15
    2-aminoethanol 315.03
    morpholine-4-carbaldehyde 230.27
    sulfolane 242.08
    2,2,4-trimethylpentane 1.98
    2-methyltetrahydrofuran 71.58
    n-hexyl acetate 27.83
    isooctane 2.37
    2-(2-butoxyethoxy)ethanol 89.0
    sec-butyl acetate 12.84
    tert-butyl acetate 30.89
    decalin 2.18
    glycerin 436.7
    diglyme 120.55
    acrylic acid 120.3
    isopropyl myristate 13.03
    n-butyric acid 85.7
    acetyl acetate 19.03
    di(2-ethylhexyl) phthalate 22.87
    ethyl propionate 21.54
    nitromethane 150.06
    1,2-diethoxyethane 16.34
    benzonitrile 20.52
    trioctyl phosphate 20.28
    1-bromopropane 4.93
    gamma-valerolactone 173.47
    n-decanol 19.79
    triethyl phosphate 17.02
    4-methyl-2-pentanol 33.87
    propionitrile 24.08
    vinylene carbonate 51.77
    1,1,2-trichlorotrifluoroethane 130.88
    DMS 23.59
    cumene 7.12
    2-octanol 21.17
    2-hexanone 25.19
    octyl acetate 19.1
    limonene 10.14
    1,2-dimethoxyethane 145.89
    ethyl orthosilicate 14.84
    tributyl phosphate 18.76
    diacetone alcohol 99.45
    N,N-dimethylaniline 25.03
    acrylonitrile 44.29
    aniline 15.13
    1,3-propanediol 231.23
    bromobenzene 3.4
    dibromomethane 5.55
    1,1,2,2-tetrachloroethane 21.57
    2-methyl-cyclohexyl acetate 22.7
    tetrabutyl urea 31.58
    diisobutyl methanol 18.14
    2-phenylethanol 37.04
    styrene 4.3
    dioctyl adipate 22.06
    dimethyl sulfate 77.46
    ethyl butyrate 18.78
    methyl lactate 93.35
    butyl lactate 33.43
    diethyl carbonate 13.58
    propanediol butyl ether 94.45
    triethyl orthoformate 15.71
    p-tert-butyltoluene 7.86
    methyl 4-tert-butylbenzoate 45.45
    morpholine 100.82
    tert-butylamine 46.02
    n-dodecanol 15.13
    dimethoxymethane 126.98
    ethylene carbonate 40.71
    cyrene 92.9
    2-ethoxyethyl acetate 20.13
    2-ethylhexyl acetate 14.5
    1,2,4-trichlorobenzene 11.85
    4-methylpyridine 23.26
    dibutyl ether 9.97
    2,6-dimethyl-4-heptanol 18.14
    DEF 72.73
    dimethyl isosorbide 100.19
    tetrachloroethylene 16.72
    eugenol 58.4
    triacetin 30.96
    span 80 67.9
    1,4-butanediol 129.32
    1,1-dichloroethane 8.25
    2-methyl-1-pentanol 45.46
    methyl formate 151.74
    2-methyl-1-butanol 52.83
    n-decane 1.85
    butyronitrile 26.06
    3,7-dimethyl-1-octanol 26.27
    1-chlorooctane 7.3
    1-chlorotetradecane 3.61
    n-nonane 1.74
    undecane 1.53
    tert-butylcyclohexane 2.9
    cyclooctane 0.94
    cyclopentanol 100.11
    tetrahydropyran 28.92
    tert-amyl methyl ether 22.33
    2,5,8-trioxanonane 105.24
    1-hexene 6.68
    2-isopropoxyethanol 80.17
    2,2,2-trifluoroethanol 84.26
    methyl butyrate 34.46

    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