(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate

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  • Identifiers

    CAS number
    172201-58-0

    Molecular formula
    C16H30O5

    SMILES
    CCCCCC(CCCC(=O)OCC1COC(O1)(C)C)O

  • Odor profile

    Fragrance
    Fruity 75.83%
    Sweet 55.66%
    Oily 55.17%
    Fatty 50.97%
    Peach 48.59%
    Buttery 41.0%
    Lactonic 39.24%
    Creamy 33.45%
    Tropical 33.3%
    Fresh 31.54%

     

    Flavor
    Fruity 57.99%
    Tropical 42.91%
    Green 40.9%
    Oily 36.14%
    Floral 33.37%
    Pineapple 31.28%
    Fatty 30.83%
    Waxy 28.62%
    Herbal 27.75%
    Sweet 27.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.95 (neutral)

    Molecular weight
    302.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    375°C

    Flash point

    • 156.01 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • UNII-4V5ZZL5UWI
    • 4V5ZZL5UWI
    • (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate
    • 172201-58-0
    • Decanoic acid, 5-hydroxy-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
    • FEMA No. 4611, 2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate-
    • (+-)-2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate
    • DTXSID80938099
    • (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate, (+-)-
    • (+/-)-2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHYL 5-HYDROXYDECANOATE
    • (2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)METHYL 5-HYDROXYDECANOATE, (+/-)-
    • REYDYLGZGYQXQP-UHFFFAOYSA-N
    • DTXCID501366646
    • Q27260543

  • Applications

    The compound (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate (CAS 172201-58-0) is primarily used as an intermediate and a masked diol in lipid- and polymer-related chemistries; it serves as a protecting-group-bearing building block for selective esterification and subsequent deprotection, enabling the synthesis of lipid-like esters and specialty polymers; it may be evaluated as a precursor for cosmetic and personal-care formulations as a lipid-based structural motif after deprotection; it can function as a plasticizer-like additive or co-monomer in coatings, polymers, and polyurethane systems; and it is used in research and development for protecting-group strategies and formulation development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1164.93
    methanol 2010.78
    isopropanol 674.2
    water 8.42
    ethyl acetate 1113.49
    n-propanol 790.19
    acetone 1426.32
    n-butanol 571.81
    acetonitrile 694.27
    DMF 2130.47
    toluene 224.23
    isobutanol 511.71
    1,4-dioxane 1030.21
    methyl acetate 835.47
    THF 1615.24
    2-butanone 878.48
    n-pentanol 401.09
    sec-butanol 553.13
    n-hexane 15.71
    ethylene glycol 229.85
    NMP 1995.18
    cyclohexane 39.72
    DMSO 2640.59
    n-butyl acetate 450.64
    n-octanol 133.09
    chloroform 2361.34
    n-propyl acetate 570.06
    acetic acid 2672.11
    dichloromethane 2344.12
    cyclohexanone 1320.91
    propylene glycol 313.19
    isopropyl acetate 714.33
    DMAc 2516.61
    2-ethoxyethanol 971.71
    isopentanol 439.2
    n-heptane 8.35
    ethyl formate 693.57
    1,2-dichloroethane 1243.19
    n-hexanol 231.08
    2-methoxyethanol 1420.99
    isobutyl acetate 404.55
    tetrachloromethane 247.32
    n-pentyl acetate 295.6
    transcutol 2695.95
    n-heptanol 114.64
    ethylbenzene 124.14
    MIBK 467.13
    2-propoxyethanol 707.95
    tert-butanol 707.81
    MTBE 569.2
    2-butoxyethanol 414.3
    propionic acid 1035.29
    o-xylene 174.41
    formic acid 1435.22
    diethyl ether 510.78
    m-xylene 159.51
    p-xylene 182.71
    chlorobenzene 466.8
    dimethyl carbonate 487.7
    n-octane 4.59
    formamide 1612.65
    cyclopentanone 1389.18
    2-pentanone 777.69
    anisole 435.52
    cyclopentyl methyl ether 663.47
    gamma-butyrolactone 1985.47
    1-methoxy-2-propanol 974.77
    pyridine 888.61
    3-pentanone 555.16
    furfural 1634.54
    n-dodecane 5.75
    diethylene glycol 566.33
    diisopropyl ether 130.44
    tert-amyl alcohol 580.49
    acetylacetone 1182.39
    n-hexadecane 6.84
    acetophenone 548.78
    methyl propionate 830.63
    isopentyl acetate 437.64
    trichloroethylene 2614.56
    n-nonanol 127.92
    cyclohexanol 508.18
    benzyl alcohol 415.03
    2-ethylhexanol 131.55
    isooctanol 101.14
    dipropyl ether 156.68
    1,2-dichlorobenzene 514.08
    ethyl lactate 331.12
    propylene carbonate 1126.23
    n-methylformamide 1314.69
    2-pentanol 315.36
    n-pentane 15.3
    1-propoxy-2-propanol 406.47
    1-methoxy-2-propyl acetate 635.25
    2-(2-methoxypropoxy) propanol 527.03
    mesitylene 91.51
    ε-caprolactone 1403.82
    p-cymene 72.2
    epichlorohydrin 1822.99
    1,1,1-trichloroethane 1011.98
    2-aminoethanol 573.01
    morpholine-4-carbaldehyde 1814.33
    sulfolane 2126.93
    2,2,4-trimethylpentane 17.59
    2-methyltetrahydrofuran 1019.76
    n-hexyl acetate 437.2
    isooctane 9.5
    2-(2-butoxyethoxy)ethanol 703.3
    sec-butyl acetate 424.52
    tert-butyl acetate 645.46
    decalin 25.78
    glycerin 534.11
    diglyme 1393.54
    acrylic acid 887.55
    isopropyl myristate 142.81
    n-butyric acid 1401.73
    acetyl acetate 957.97
    di(2-ethylhexyl) phthalate 175.06
    ethyl propionate 499.85
    nitromethane 3633.48
    1,2-diethoxyethane 528.22
    benzonitrile 468.02
    trioctyl phosphate 109.35
    1-bromopropane 499.67
    gamma-valerolactone 2283.44
    n-decanol 86.62
    triethyl phosphate 218.87
    4-methyl-2-pentanol 176.74
    propionitrile 466.58
    vinylene carbonate 1037.97
    1,1,2-trichlorotrifluoroethane 1736.26
    DMS 476.03
    cumene 92.87
    2-octanol 76.58
    2-hexanone 447.34
    octyl acetate 193.48
    limonene 111.21
    1,2-dimethoxyethane 1248.99
    ethyl orthosilicate 204.5
    tributyl phosphate 175.92
    diacetone alcohol 658.45
    N,N-dimethylaniline 279.85
    acrylonitrile 628.99
    aniline 468.37
    1,3-propanediol 737.21
    bromobenzene 454.08
    dibromomethane 1241.3
    1,1,2,2-tetrachloroethane 1896.84
    2-methyl-cyclohexyl acetate 306.5
    tetrabutyl urea 207.15
    diisobutyl methanol 71.59
    2-phenylethanol 288.52
    styrene 174.09
    dioctyl adipate 280.49
    dimethyl sulfate 1023.02
    ethyl butyrate 347.4
    methyl lactate 468.62
    butyl lactate 302.43
    diethyl carbonate 275.53
    propanediol butyl ether 411.21
    triethyl orthoformate 271.8
    p-tert-butyltoluene 66.86
    methyl 4-tert-butylbenzoate 407.37
    morpholine 1416.16
    tert-butylamine 325.79
    n-dodecanol 60.74
    dimethoxymethane 1100.68
    ethylene carbonate 920.64
    cyrene 462.56
    2-ethoxyethyl acetate 529.15
    2-ethylhexyl acetate 327.31
    1,2,4-trichlorobenzene 659.99
    4-methylpyridine 911.2
    dibutyl ether 177.32
    2,6-dimethyl-4-heptanol 71.59
    DEF 1009.93
    dimethyl isosorbide 738.91
    tetrachloroethylene 1160.12
    eugenol 339.94
    triacetin 694.02
    span 80 357.31
    1,4-butanediol 300.85
    1,1-dichloroethane 1107.01
    2-methyl-1-pentanol 344.17
    methyl formate 863.56
    2-methyl-1-butanol 452.58
    n-decane 10.77
    butyronitrile 472.42
    3,7-dimethyl-1-octanol 151.79
    1-chlorooctane 79.99
    1-chlorotetradecane 27.51
    n-nonane 8.97
    undecane 7.42
    tert-butylcyclohexane 18.99
    cyclooctane 11.53
    cyclopentanol 573.4
    tetrahydropyran 897.43
    tert-amyl methyl ether 419.35
    2,5,8-trioxanonane 916.37
    1-hexene 94.24
    2-isopropoxyethanol 604.51
    2,2,2-trifluoroethanol 966.75
    methyl butyrate 687.81

    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