3-Hydroxybutyric acid

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  • Identifiers

    CAS number
    300-85-6

    Molecular formula
    C4H8O3

    SMILES
    CC(CC(=O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 80.8%
    Cheesy 51.65%
    Sour 41.29%
    Sweaty 32.37%
    Sharp 31.54%
    Dairy 29.64%
    Tropical 27.92%
    Pungent 26.77%
    Buttery 25.54%
    Odorless 24.98%

     

    Flavor
    Odorless 63.18%
    Sour 45.36%
    Acidic 36.51%
    Pungent 32.22%
    Rancid 29.99%
    Sharp 29.76%
    Vinegar 28.8%
    Sweat 28.01%
    Cheese 27.53%
    Mild 24.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.5

    pKa est.
    7.47 (neutral)

    Molecular weight
    104.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    234°C

    Flash point

    • 121.66 ˚C est.

  • Synonyms

    • 3-hydroxybutyric acid
    • 3-hydroxybutanoic acid
    • 300-85-6
    • Butanoic acid, 3-hydroxy-
    • 625-71-8
    • DL-3-Hydroxybutyric Acid
    • beta-Hydroxybutyric acid
    • 3 HBA
    • 3-Hydroxybuttersaeure
    • Butyric acid, 3-hydroxy-
    • DL-beta-Hydroxybutyric acid
    • beta-Hydroxybuttersaeure
    • beta-hydroxybutyrate
    • 26063-00-3
    • beta-Hydroxy-n-butyric acid
    • poly(3-hydroxybutyric acid)
    • 3 Hydroxybutyrate
    • 3-hydroxy-butanoic acid
    • .beta.-Hydroxybutyric acid
    • (1)-3-Hydroxybutyric acid
    • (+-)-3-Hydroxybutyric acid
    • beta-hydroxy-butyrate
    • D,l-3 hydroxybutyrate
    • beta-hydroxybutanoic acid
    • NSC 3806
    • NSC-3806
    • Hydroxybutyric acid, dl-
    • MFCD00004546
    • .beta.-Hydroxy-n-butyric acid
    • AI3-21675
    • (+/-)-3-Hydroxybutyric Acid
    • D(-)-beta-hydroxy butyric acid
    • CHEBI:20067
    • 3-hydroxybutyric acid, (+/-)-
    • TZP1275679
    • 3-hydroxy-butyrate
    • Butyric acid, 3-hydroxy- (8CI)
    • 3-Hydroxybutanoic Acid + 3-(3-Hydroxybutyryloxy)butyric Acid (CAS:7565-79-9) (50:50 Mixture)
    • SMR000112209
    • (+/-)-3-Hydroxybutyric Acid (Technical Grade)
    • MFCD00137685
    • UNII-TZP1275679
    • EINECS 206-099-9
    • EINECS 210-908-0
    • 3-OH-butyric acid
    • BHBA
    • 3- hydroxybutyric acid
    • 3-hydroxy-butyric acid
    • DL-3-HydroxybutyricAcid
    • d,l-3-hydroxybutyric acid
    • bmse000161
    • bmse000905
    • SCHEMBL2731
    • (RS)-3-hydroxybutyric acid
    • (+/-)-beta-Hydroxybutyrate
    • MLS001332397
    • MLS001332398
    • 3-Hydroxybutyric acid, 95%
    • DL-.beta.-Hydroxybutyric acid
    • (+/-)-3-Hydroxybutanoic acid
    • CHEMBL1162496
    • .BETA.HYDROXYBUTYRIC ACID
    • DTXSID60859511
    • NSC3806
    • (.+/-.)-3-Hydroxybutyric acid
    • 3-Hydroxybutyric acid, tech grade
    • HMS2270C20
    • HMS3369F13
    • BBL027467
    • HB4640
    • LMFA01050005
    • s1031
    • STL377875
    • AKOS009156821
    • AB88579
    • AC-5701
    • FH30882
    • SB44475
    • Butanoic acid, 3-hydroxy-, (+/-)-
    • .BETA.-HYDROXYBUTYRIC ACID [MI]
    • Butanoic acid, 3-hydroxy-, (A+/-)-
    • BETA-HYDROXYBUTYRIC ACID [WHO-DD]
    • FP179872
    • SY074781
    • SY076545
    • SY114480
    • VS-08544
    • HY-113378
    • CS-0062335
    • H0228
    • NS00014717
    • Poly(3-hydroxybutyric acid), MW~500,000
    • D84191
    • EN300-147463
    • Poly[(R)-3-hydroxybutyrate], Mn ~500,000
    • Q223092
    • BRD-A41387824-001-06-0
    • (+/-)-3-Hydroxybutanoic acid;DL-?-Hydroxybutyric acid
    • 869DD3C9-3114-4BE2-B4A6-6F1787476E95

  • Applications

    3-Hydroxybutyric acid (CAS 300-85-6) is used as a building block and feedstock for biodegradable polymers such as polyhydroxybutyrate (PHB) and related copolymers, supporting bioplastic production for packaging and medical devices; it also serves as a useful intermediate in the synthesis of pharmaceuticals and fine chemicals in chiral or derivative forms; as a biological platform, it provides a feedstock for producing bio-based chemicals and materials via fermentation-derived routes; esters and derivatives prepared from 3-hydroxybutyric acid are developed for applications in coatings, adhesives, and other specialty chemicals; in addition, it is employed in research and development of bioprocessing and as a reference standard in analytical studies of metabolic pathways.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 313.21
    methanol 636.73
    isopropanol 232.51
    water 1024.81
    ethyl acetate 53.81
    n-propanol 197.32
    acetone 222.57
    n-butanol 131.47
    acetonitrile 115.07
    DMF 1110.91
    toluene 2.87
    isobutanol 128.67
    1,4-dioxane 141.03
    methyl acetate 74.89
    THF 329.11
    2-butanone 81.06
    n-pentanol 84.5
    sec-butanol 120.89
    n-hexane 2.48
    ethylene glycol 633.4
    NMP 513.84
    cyclohexane 1.21
    DMSO 665.44
    n-butyl acetate 28.11
    n-octanol 45.06
    chloroform 4.8
    n-propyl acetate 43.37
    acetic acid 637.2
    dichloromethane 6.69
    cyclohexanone 78.05
    propylene glycol 556.35
    isopropyl acetate 35.87
    DMAc 507.38
    2-ethoxyethanol 319.13
    isopentanol 87.46
    n-heptane 2.66
    ethyl formate 87.86
    1,2-dichloroethane 9.59
    n-hexanol 70.71
    2-methoxyethanol 688.15
    isobutyl acetate 26.02
    tetrachloromethane 2.24
    n-pentyl acetate 25.18
    transcutol 383.39
    n-heptanol 38.28
    ethylbenzene 2.52
    MIBK 54.62
    2-propoxyethanol 245.41
    tert-butanol 249.22
    MTBE 36.88
    2-butoxyethanol 115.93
    propionic acid 261.32
    o-xylene 5.27
    formic acid 858.94
    diethyl ether 29.43
    m-xylene 6.09
    p-xylene 3.96
    chlorobenzene 3.28
    dimethyl carbonate 72.67
    n-octane 1.25
    formamide 617.35
    cyclopentanone 163.71
    2-pentanone 79.33
    anisole 20.99
    cyclopentyl methyl ether 71.86
    gamma-butyrolactone 259.59
    1-methoxy-2-propanol 480.08
    pyridine 23.84
    3-pentanone 41.63
    furfural 180.75
    n-dodecane 1.47
    diethylene glycol 389.72
    diisopropyl ether 11.04
    tert-amyl alcohol 125.09
    acetylacetone 109.67
    n-hexadecane 1.5
    acetophenone 31.8
    methyl propionate 83.62
    isopentyl acetate 22.71
    trichloroethylene 12.42
    n-nonanol 39.31
    cyclohexanol 64.26
    benzyl alcohol 36.92
    2-ethylhexanol 25.56
    isooctanol 28.42
    dipropyl ether 26.14
    1,2-dichlorobenzene 4.77
    ethyl lactate 83.43
    propylene carbonate 113.49
    n-methylformamide 507.01
    2-pentanol 75.24
    n-pentane 2.39
    1-propoxy-2-propanol 145.94
    1-methoxy-2-propyl acetate 61.28
    2-(2-methoxypropoxy) propanol 136.45
    mesitylene 5.53
    ε-caprolactone 95.68
    p-cymene 5.02
    epichlorohydrin 129.18
    1,1,1-trichloroethane 6.23
    2-aminoethanol 607.07
    morpholine-4-carbaldehyde 509.94
    sulfolane 338.44
    2,2,4-trimethylpentane 2.0
    2-methyltetrahydrofuran 106.21
    n-hexyl acetate 47.55
    isooctane 2.34
    2-(2-butoxyethoxy)ethanol 202.38
    sec-butyl acetate 22.21
    tert-butyl acetate 47.6
    decalin 1.48
    glycerin 868.61
    diglyme 237.88
    acrylic acid 302.94
    isopropyl myristate 19.17
    n-butyric acid 175.13
    acetyl acetate 36.5
    di(2-ethylhexyl) phthalate 31.34
    ethyl propionate 40.86
    nitromethane 595.77
    1,2-diethoxyethane 42.86
    benzonitrile 22.2
    trioctyl phosphate 27.07
    1-bromopropane 4.11
    gamma-valerolactone 330.37
    n-decanol 29.74
    triethyl phosphate 19.23
    4-methyl-2-pentanol 45.08
    propionitrile 51.12
    vinylene carbonate 91.37
    1,1,2-trichlorotrifluoroethane 192.3
    DMS 42.63
    cumene 4.18
    2-octanol 23.64
    2-hexanone 48.02
    octyl acetate 31.4
    limonene 8.13
    1,2-dimethoxyethane 265.55
    ethyl orthosilicate 17.75
    tributyl phosphate 28.85
    diacetone alcohol 160.29
    N,N-dimethylaniline 24.36
    acrylonitrile 88.97
    aniline 17.12
    1,3-propanediol 460.96
    bromobenzene 1.6
    dibromomethane 3.63
    1,1,2,2-tetrachloroethane 13.06
    2-methyl-cyclohexyl acetate 25.8
    tetrabutyl urea 48.42
    diisobutyl methanol 17.24
    2-phenylethanol 33.32
    styrene 2.33
    dioctyl adipate 38.25
    dimethyl sulfate 138.72
    ethyl butyrate 27.78
    methyl lactate 185.35
    butyl lactate 52.05
    diethyl carbonate 19.1
    propanediol butyl ether 182.59
    triethyl orthoformate 23.06
    p-tert-butyltoluene 5.62
    methyl 4-tert-butylbenzoate 61.65
    morpholine 238.68
    tert-butylamine 76.75
    n-dodecanol 22.37
    dimethoxymethane 274.44
    ethylene carbonate 70.57
    cyrene 165.14
    2-ethoxyethyl acetate 43.99
    2-ethylhexyl acetate 14.89
    1,2,4-trichlorobenzene 7.2
    4-methylpyridine 26.11
    dibutyl ether 18.19
    2,6-dimethyl-4-heptanol 17.24
    DEF 130.06
    dimethyl isosorbide 167.71
    tetrachloroethylene 9.36
    eugenol 80.1
    triacetin 68.27
    span 80 125.87
    1,4-butanediol 217.32
    1,1-dichloroethane 6.58
    2-methyl-1-pentanol 52.95
    methyl formate 347.4
    2-methyl-1-butanol 83.11
    n-decane 2.11
    butyronitrile 44.87
    3,7-dimethyl-1-octanol 32.66
    1-chlorooctane 7.72
    1-chlorotetradecane 3.99
    n-nonane 1.91
    undecane 1.72
    tert-butylcyclohexane 2.14
    cyclooctane 0.77
    cyclopentanol 137.79
    tetrahydropyran 51.67
    tert-amyl methyl ether 32.16
    2,5,8-trioxanonane 205.41
    1-hexene 6.15
    2-isopropoxyethanol 163.42
    2,2,2-trifluoroethanol 297.98
    methyl butyrate 57.11

    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