2-Methyl-(R)-2,4-pentanediol

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  • Identifiers

    CAS number
    99210-90-9

    Molecular formula
    C6H14O2

    SMILES
    C[C@H](CC(C)(C)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 48.09%
    Alcoholic 40.42%
    Fermented 31.82%
    Floral 28.76%
    Fresh 27.89%
    Ethereal 27.08%
    Mint 25.47%
    Fruity 25.32%
    Oily 25.07%
    Solvent 24.38%

     

    Flavor
    Oily 41.59%
    Herbal 36.93%
    Green 34.57%
    Sweet 30.23%
    Mild 30.08%
    Bitter 28.65%
    Floral 28.19%
    Woody 28.03%
    Earthy 27.77%
    Tropical 26.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    9.41 (weak base)

    Molecular weight
    118.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    195°C

    Flash point

    • 83.89 ˚C est.

  • Synonyms

    • 99210-90-9
    • RefChem:474723
    • 2-Methyl-(R)-2,4-pentanediol
    • 625-062-1
    • (R)-(-)-2-Methyl-2,4-pentanediol
    • (4R)-2-METHYLPENTANE-2,4-DIOL
    • (R)-(-)-2-Methyl-2,4-pentandiol
    • MFCD00064275
    • 64229-01-2
    • MRD
    • 2-Methylpentan-2,4-diol
    • (R)-2-methyl-2,4-pentanediol
    • hexylene-glycol
    • NSC 8098
    • 1hty
    • (4R)-2-Methyl-2,4-pentanediol
    • 2,4-Pentanediol, 2-methyl-, (4R)-
    • (R)-(-)-Hexylene glycol
    • 4-Methyl-2,4-pentanediole
    • SCHEMBL123432
    • (R)-2-methylpentane-2,4-diol
    • DTXSID301377182
    • Pharmakon1600-01506161
    • MPD
    • EBC-47206
    • NSC760381
    • AKOS005255882
    • NSC-760381
    • (.+/-.)-2-Methyl-2,4-pentanediol
    • PD132618
    • CS-0325557
    • (R)-(-)-2-Methyl-2,4-pentanediol, 99%
    • EN300-7193752
    • .alpha.,.alpha.,.alpha.'-Trimethyltrimethylene glycol
    • Q63390520
    • 99210-90-9

  • Applications

    2-Methyl-(R)-2,4-pentanediol (CAS 99210-90-9) is a chiral diol that is typically used as a synthetic building block in pharmaceutical synthesis, serving as a chiral intermediate for drug or bioactive compounds. It can also function as a diol component for polymer systems such as polyurethanes and polyesters, acting as a monomer or chain extender to build flexible networks. In coatings and inks, it may serve as a solvent or processing aid to aid blending and viscosity control. In cosmetics and personal care, it can be used as a humectant and solvent in formulations. In perfumery/fragrance, it may be encountered as a fragrance ingredient or intermediate for aroma compounds, depending on regulatory constraints and formulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1836.66
    methanol 3011.67
    isopropanol 1346.53
    water 381.76
    ethyl acetate 347.57
    n-propanol 1326.04
    acetone 614.44
    n-butanol 1058.71
    acetonitrile 440.64
    DMF 799.65
    toluene 75.64
    isobutanol 860.79
    1,4-dioxane 777.74
    methyl acetate 421.4
    THF 1194.39
    2-butanone 437.23
    n-pentanol 584.04
    sec-butanol 999.93
    n-hexane 172.31
    ethylene glycol 1026.98
    NMP 737.39
    cyclohexane 136.53
    DMSO 489.13
    n-butyl acetate 270.89
    n-octanol 465.56
    chloroform 354.44
    n-propyl acetate 218.11
    acetic acid 1631.05
    dichloromethane 231.53
    cyclohexanone 527.69
    propylene glycol 1266.42
    isopropyl acetate 230.52
    DMAc 692.12
    2-ethoxyethanol 720.02
    isopentanol 636.46
    n-heptane 162.53
    ethyl formate 341.13
    1,2-dichloroethane 162.52
    n-hexanol 1014.71
    2-methoxyethanol 1371.28
    isobutyl acetate 156.87
    tetrachloromethane 125.42
    n-pentyl acetate 188.01
    transcutol 1130.4
    n-heptanol 402.45
    ethylbenzene 55.26
    MIBK 227.26
    2-propoxyethanol 1086.65
    tert-butanol 1339.58
    MTBE 567.8
    2-butoxyethanol 499.56
    propionic acid 952.58
    o-xylene 83.71
    formic acid 1225.47
    diethyl ether 513.79
    m-xylene 88.1
    p-xylene 74.39
    chlorobenzene 89.29
    dimethyl carbonate 146.26
    n-octane 51.68
    formamide 551.47
    cyclopentanone 532.79
    2-pentanone 351.8
    anisole 137.56
    cyclopentyl methyl ether 508.43
    gamma-butyrolactone 639.56
    1-methoxy-2-propanol 934.65
    pyridine 230.01
    3-pentanone 269.34
    furfural 404.82
    n-dodecane 37.01
    diethylene glycol 925.06
    diisopropyl ether 183.88
    tert-amyl alcohol 940.89
    acetylacetone 282.39
    n-hexadecane 37.45
    acetophenone 129.72
    methyl propionate 322.45
    isopentyl acetate 226.62
    trichloroethylene 229.61
    n-nonanol 370.26
    cyclohexanol 732.14
    benzyl alcohol 180.92
    2-ethylhexanol 413.58
    isooctanol 260.25
    dipropyl ether 360.71
    1,2-dichlorobenzene 81.68
    ethyl lactate 186.15
    propylene carbonate 342.53
    n-methylformamide 644.58
    2-pentanol 672.35
    n-pentane 198.19
    1-propoxy-2-propanol 678.21
    1-methoxy-2-propyl acetate 265.53
    2-(2-methoxypropoxy) propanol 373.21
    mesitylene 67.93
    ε-caprolactone 516.43
    p-cymene 74.5
    epichlorohydrin 427.92
    1,1,1-trichloroethane 199.73
    2-aminoethanol 1430.89
    morpholine-4-carbaldehyde 695.55
    sulfolane 516.12
    2,2,4-trimethylpentane 88.6
    2-methyltetrahydrofuran 729.01
    n-hexyl acetate 363.54
    isooctane 66.9
    2-(2-butoxyethoxy)ethanol 538.12
    sec-butyl acetate 150.53
    tert-butyl acetate 280.2
    decalin 56.43
    glycerin 1346.77
    diglyme 686.85
    acrylic acid 721.52
    isopropyl myristate 139.6
    n-butyric acid 836.04
    acetyl acetate 218.33
    di(2-ethylhexyl) phthalate 129.18
    ethyl propionate 194.98
    nitromethane 852.09
    1,2-diethoxyethane 285.46
    benzonitrile 144.35
    trioctyl phosphate 119.22
    1-bromopropane 175.81
    gamma-valerolactone 728.99
    n-decanol 261.2
    triethyl phosphate 97.38
    4-methyl-2-pentanol 334.78
    propionitrile 365.48
    vinylene carbonate 272.53
    1,1,2-trichlorotrifluoroethane 486.88
    DMS 170.95
    cumene 60.97
    2-octanol 273.96
    2-hexanone 255.19
    octyl acetate 192.8
    limonene 146.94
    1,2-dimethoxyethane 718.17
    ethyl orthosilicate 105.6
    tributyl phosphate 129.01
    diacetone alcohol 402.64
    N,N-dimethylaniline 111.96
    acrylonitrile 325.94
    aniline 193.65
    1,3-propanediol 1205.19
    bromobenzene 58.24
    dibromomethane 184.54
    1,1,2,2-tetrachloroethane 233.48
    2-methyl-cyclohexyl acetate 170.66
    tetrabutyl urea 167.69
    diisobutyl methanol 178.69
    2-phenylethanol 219.27
    styrene 53.81
    dioctyl adipate 170.99
    dimethyl sulfate 183.04
    ethyl butyrate 177.86
    methyl lactate 285.57
    butyl lactate 206.18
    diethyl carbonate 111.94
    propanediol butyl ether 587.87
    triethyl orthoformate 149.51
    p-tert-butyltoluene 80.72
    methyl 4-tert-butylbenzoate 207.59
    morpholine 983.2
    tert-butylamine 917.38
    n-dodecanol 194.03
    dimethoxymethane 485.42
    ethylene carbonate 263.44
    cyrene 266.88
    2-ethoxyethyl acetate 204.41
    2-ethylhexyl acetate 178.23
    1,2,4-trichlorobenzene 104.49
    4-methylpyridine 229.2
    dibutyl ether 253.64
    2,6-dimethyl-4-heptanol 178.69
    DEF 389.29
    dimethyl isosorbide 425.02
    tetrachloroethylene 191.65
    eugenol 216.67
    triacetin 248.52
    span 80 413.98
    1,4-butanediol 557.7
    1,1-dichloroethane 223.62
    2-methyl-1-pentanol 378.47
    methyl formate 466.42
    2-methyl-1-butanol 677.51
    n-decane 70.83
    butyronitrile 345.47
    3,7-dimethyl-1-octanol 314.59
    1-chlorooctane 161.59
    1-chlorotetradecane 66.25
    n-nonane 74.81
    undecane 47.95
    tert-butylcyclohexane 75.15
    cyclooctane 59.16
    cyclopentanol 821.87
    tetrahydropyran 724.15
    tert-amyl methyl ether 425.48
    2,5,8-trioxanonane 501.34
    1-hexene 274.61
    2-isopropoxyethanol 460.74
    2,2,2-trifluoroethanol 546.65
    methyl butyrate 248.75

    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