Calcium 3-hydroxy-3-methyl-butyrate

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  • Identifiers

    CAS number
    135236-72-5

    Molecular formula
    C10H18CaO6

    SMILES
    CC(C)(CC(=O)[O-])O.CC(C)(CC(=O)[O-])O.[Ca+2]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 50.07%
    Odorless 37.84%
    Sweet 26.76%
    Fresh 25.83%
    Sour 25.82%
    Floral 24.07%
    Mint 22.71%
    Grape 22.41%
    Musk 20.06%
    Herbal 19.7%

     

    Flavor
    Fruity 28.07%
    Tropical 27.14%
    Sweet 27.1%
    Odorless 26.61%
    Sour 25.7%
    Pungent 23.45%
    Mild 22.79%
    Cheese 22.64%
    Cat-urine 21.85%
    Stinky 21.67%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.81 (weak acid)

    Molecular weight
    274.32 g/mol

    Flash point

    • 74.03 ˚C est.

  • Synonyms

    • 135236-72-5
    • calcium beta-hydroxy-beta-methylbutyrate
    • Calcium 3-hydroxy-3-methyl-butyrate
    • UNII-2X2EF40O4Q
    • Butanoic acid, 3-hydroxy-3-methyl-, calcium salt (2:1)
    • 2X2EF40O4Q
    • Calcium beta-hydroxy beta-methylbutyrate [WHO-DD]
    • CA-HMB
    • calcium hydroxymethylbutyrate
    • DTXSID00432004
    • CALCIUM .BETA.-HYDROXY-.BETA.-METHYLBUTYRATE
    • RefChem:200032
    • DTXCID60382834
    • calcium beta-hydroxy beta-methylbutyrate
    • calcium 3-hydroxy-3-methylbutanoate
    • Calcium 3-Hydroxy-3-methylbutyrate
    • CalciuM 3-Hydroxy-3-Methylbutyrate Hydrate
    • C10H18CaO6
    • calcium;3-hydroxy-3-methylbutanoate
    • Calcium b-hydroxy-b-methylbutyrate
    • 3-Hydroxy-3-methylbutanoic acid calcium salt (2:1)
    • Calcium HMB
    • HMB-Ca monohydrate
    • HMB-Ca
    • Calcium HMB monohydrate
    • Calcium beta-hydroxy-beta-methylbutyric acid
    • 3-Hydroxy-3-methylbutyric Acid Calcium Salt
    • SCHEMBL723160
    • calcium 3-hydroxy-3-methylbutano
    • MFCD01318562
    • 3-Hydroxyisovaleric acid calcium salt
    • calcium;3-hydroxy-3-methyl-butanoate
    • AKOS015895287
    • AKOS015963380
    • FN11744
    • AC-20085
    • AS-17700
    • Calcium bis(3-hydroxy-3-methylbutanoate)
    • DB-017690
    • CS-0187335
    • H0917
    • |A-Hydroxy-|A-methylbutyric acid,calcium salt
    • Calcium ?-hydroxy-?-methylbutyrate monohydrate
    • E78203
    • Q27255731
    • 135236-72-5

  • Applications

    Calcium 3-hydroxy-3-methyl-butyrate (CAS 135236-72-5) is used primarily as a dietary-supplement ingredient in nutraceuticals and sports-nutrition products, supplied as the calcium salt of beta-hydroxy-beta-methylbutyrate. It is also evaluated as a feed additive in animal nutrition to support lean mass and protein retention in livestock. In pharmaceutical and functional-food applications, it can function as a stabilized calcium salt for nutrient delivery in formulated products. Regulatory and formulation limits apply to its use in each domain.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 493.77
    methanol 934.13
    isopropanol 361.02
    water 389.96
    ethyl acetate 157.61
    n-propanol 328.33
    acetone 421.23
    n-butanol 247.3
    acetonitrile 250.74
    DMF 1180.94
    toluene 26.35
    isobutanol 198.15
    1,4-dioxane 256.53
    methyl acetate 211.36
    THF 515.12
    2-butanone 198.75
    n-pentanol 127.57
    sec-butanol 231.71
    n-hexane 16.42
    ethylene glycol 550.45
    NMP 708.22
    cyclohexane 10.32
    DMSO 479.08
    n-butyl acetate 82.68
    n-octanol 120.38
    chloroform 106.35
    n-propyl acetate 107.03
    acetic acid 888.85
    dichloromethane 83.39
    cyclohexanone 175.71
    propylene glycol 646.34
    isopropyl acetate 105.4
    DMAc 742.69
    2-ethoxyethanol 314.95
    isopentanol 147.59
    n-heptane 13.47
    ethyl formate 204.61
    1,2-dichloroethane 68.88
    n-hexanol 161.9
    2-methoxyethanol 822.3
    isobutyl acetate 63.97
    tetrachloromethane 20.8
    n-pentyl acetate 61.8
    transcutol 587.28
    n-heptanol 82.95
    ethylbenzene 23.81
    MIBK 111.31
    2-propoxyethanol 396.18
    tert-butanol 408.09
    MTBE 115.09
    2-butoxyethanol 186.02
    propionic acid 402.41
    o-xylene 33.85
    formic acid 771.22
    diethyl ether 102.24
    m-xylene 35.95
    p-xylene 28.22
    chlorobenzene 34.63
    dimethyl carbonate 177.8
    n-octane 6.38
    formamide 538.5
    cyclopentanone 292.02
    2-pentanone 170.58
    anisole 90.86
    cyclopentyl methyl ether 167.18
    gamma-butyrolactone 435.74
    1-methoxy-2-propanol 673.87
    pyridine 111.36
    3-pentanone 117.5
    furfural 372.9
    n-dodecane 7.79
    diethylene glycol 464.89
    diisopropyl ether 34.44
    tert-amyl alcohol 251.28
    acetylacetone 218.82
    n-hexadecane 7.86
    acetophenone 98.82
    methyl propionate 207.31
    isopentyl acetate 66.3
    trichloroethylene 112.22
    n-nonanol 105.5
    cyclohexanol 149.76
    benzyl alcohol 106.22
    2-ethylhexanol 71.57
    isooctanol 61.62
    dipropyl ether 76.71
    1,2-dichlorobenzene 37.56
    ethyl lactate 166.73
    propylene carbonate 255.18
    n-methylformamide 634.05
    2-pentanol 151.38
    n-pentane 18.93
    1-propoxy-2-propanol 259.89
    1-methoxy-2-propyl acetate 154.35
    2-(2-methoxypropoxy) propanol 237.24
    mesitylene 26.4
    ε-caprolactone 196.76
    p-cymene 24.06
    epichlorohydrin 280.02
    1,1,1-trichloroethane 63.42
    2-aminoethanol 625.4
    morpholine-4-carbaldehyde 616.88
    sulfolane 448.21
    2,2,4-trimethylpentane 10.94
    2-methyltetrahydrofuran 209.48
    n-hexyl acetate 130.92
    isooctane 10.17
    2-(2-butoxyethoxy)ethanol 316.59
    sec-butyl acetate 65.27
    tert-butyl acetate 123.93
    decalin 9.22
    glycerin 842.37
    diglyme 353.85
    acrylic acid 420.48
    isopropyl myristate 55.9
    n-butyric acid 319.62
    acetyl acetate 113.65
    di(2-ethylhexyl) phthalate 68.41
    ethyl propionate 120.75
    nitromethane 783.36
    1,2-diethoxyethane 89.67
    benzonitrile 81.65
    trioctyl phosphate 57.2
    1-bromopropane 40.47
    gamma-valerolactone 471.73
    n-decanol 83.37
    triethyl phosphate 51.48
    4-methyl-2-pentanol 95.8
    propionitrile 169.69
    vinylene carbonate 233.69
    1,1,2-trichlorotrifluoroethane 353.29
    DMS 120.21
    cumene 23.48
    2-octanol 59.15
    2-hexanone 96.7
    octyl acetate 82.44
    limonene 34.42
    1,2-dimethoxyethane 341.2
    ethyl orthosilicate 45.27
    tributyl phosphate 67.39
    diacetone alcohol 272.36
    N,N-dimethylaniline 83.98
    acrylonitrile 239.41
    aniline 85.8
    1,3-propanediol 487.83
    bromobenzene 20.38
    dibromomethane 49.65
    1,1,2,2-tetrachloroethane 105.58
    2-methyl-cyclohexyl acetate 68.84
    tetrabutyl urea 103.28
    diisobutyl methanol 47.03
    2-phenylethanol 108.36
    styrene 23.71
    dioctyl adipate 87.2
    dimethyl sulfate 250.78
    ethyl butyrate 77.57
    methyl lactate 319.63
    butyl lactate 106.76
    diethyl carbonate 60.49
    propanediol butyl ether 295.03
    triethyl orthoformate 60.24
    p-tert-butyltoluene 27.15
    methyl 4-tert-butylbenzoate 140.31
    morpholine 365.1
    tert-butylamine 190.49
    n-dodecanol 64.28
    dimethoxymethane 471.99
    ethylene carbonate 171.19
    cyrene 232.32
    2-ethoxyethyl acetate 99.2
    2-ethylhexyl acetate 47.07
    1,2,4-trichlorobenzene 51.53
    4-methylpyridine 123.02
    dibutyl ether 65.84
    2,6-dimethyl-4-heptanol 47.03
    DEF 239.38
    dimethyl isosorbide 290.48
    tetrachloroethylene 68.88
    eugenol 163.91
    triacetin 154.71
    span 80 229.23
    1,4-butanediol 192.87
    1,1-dichloroethane 74.77
    2-methyl-1-pentanol 80.61
    methyl formate 501.98
    2-methyl-1-butanol 150.43
    n-decane 11.25
    butyronitrile 125.0
    3,7-dimethyl-1-octanol 93.46
    1-chlorooctane 37.06
    1-chlorotetradecane 19.88
    n-nonane 10.19
    undecane 9.15
    tert-butylcyclohexane 12.32
    cyclooctane 5.38
    cyclopentanol 237.39
    tetrahydropyran 154.12
    tert-amyl methyl ether 100.54
    2,5,8-trioxanonane 311.15
    1-hexene 39.13
    2-isopropoxyethanol 182.13
    2,2,2-trifluoroethanol 375.85
    methyl butyrate 145.45

    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