2-Isobutyl-4-methyl-1,3-dioxolane

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  • Identifiers

    CAS number
    18433-93-7

    Molecular formula
    C8H16O2

    SMILES
    CC1COC(O1)CC(C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fruity 87.04%
    Sweet 67.68%
    Ethereal 66.36%
    Green 64.15%
    Fermented 52.69%
    Cocoa 52.58%
    Buttery 41.96%
    Creamy 39.92%
    Dairy 39.91%
    Winey 38.67%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    168°C

    Flash point est.
    45.81 ˚C

    Solubility expt.

    • Insoluble in water; soluble in organic solvents
    • Soluble (in ethanol)

  • Synonyms

    • 2-Isobutyl-4-methyl-1,3-dioxolane
    • 18433-93-7
    • 4-methyl-2-(2-methylpropyl)-1,3-dioxolane
    • 1,3-Dioxolane, 4-methyl-2-(2-methylpropyl)-
    • Isovaleraldehyde propylene glycol acetal
    • Isovaleraldehyde propyleneglycol acetal
    • UNII-TUG3U82JZS
    • EINECS 242-309-5
    • TUG3U82JZS
    • DTXSID50864836
    • cis- and trans-2-Isobutyl-4-methyl-1,3-dioxolane
    • 1,3-Dioxolane, 4-methyl-2-(2-methylpropyl), trans
    • iso-Valeraldehyde propyleneglycol acetal 1
    • 1,3-Dioxolane, 4-methyl-2-(2-methylpropyl), cis
    • MFCD00238528
    • 1,3-Dioxolane, 2-isobutyl-4-methyl-
    • 3-Methylbutanal Propylene Glycol Acetal
    • iso-Valeraldehyde propyleneglycol acetal 2
    • SCHEMBL3505552
    • FEMA NO. 4286
    • DTXCID50214478
    • CHEBI:179940
    • AKOS006283221
    • 2-Isobutyl-4-methyl-1,3-dioxolane #
    • LS-13513
    • I0896
    • NS00052190
    • D91211
    • (+/-)-2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE
    • 3-METHYLBUTYRALDEHYDE PROPYLENE GLYCOL ACETAL
    • 2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE, (+/-)-
    • CIS-AND TRANS-2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE
    • CIS-AND TRANS-2-ISOBUTYL-4-METHYL-1,3-DIOXOLANE [FHFI]
    • 242-309-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 873.3
    methanol 1019.82
    isopropanol 827.4
    water 14.87
    ethyl acetate 339.82
    n-propanol 679.93
    acetone 485.67
    n-butanol 637.94
    acetonitrile 549.9
    DMF 493.46
    toluene 257.5
    isobutanol 566.96
    1,4-dioxane 753.69
    methyl acetate 339.16
    THF 1073.02
    2-butanone 367.4
    n-pentanol 438.02
    sec-butanol 697.93
    n-hexane 163.64
    ethylene glycol 310.85
    NMP 572.87
    cyclohexane 294.63
    DMSO 523.62
    n-butyl acetate 336.48
    n-octanol 428.73
    chloroform 2667.65
    n-propyl acetate 230.53
    acetic acid 1021.22
    dichloromethane 1509.47
    cyclohexanone 672.0
    propylene glycol 564.31
    isopropyl acetate 246.02
    DMAc 435.33
    2-ethoxyethanol 427.08
    isopentanol 474.98
    n-heptane 167.12
    ethyl formate 321.61
    1,2-dichloroethane 549.26
    n-hexanol 686.89
    2-methoxyethanol 674.32
    isobutyl acetate 199.78
    tetrachloromethane 431.98
    n-pentyl acetate 256.27
    transcutol 922.26
    n-heptanol 343.45
    ethylbenzene 175.81
    MIBK 225.43
    2-propoxyethanol 615.38
    tert-butanol 842.14
    MTBE 427.8
    2-butoxyethanol 406.26
    propionic acid 665.09
    o-xylene 210.19
    formic acid 301.18
    diethyl ether 346.54
    m-xylene 195.92
    p-xylene 268.56
    chlorobenzene 434.63
    dimethyl carbonate 138.0
    n-octane 61.36
    formamide 243.8
    cyclopentanone 685.43
    2-pentanone 293.21
    anisole 291.17
    cyclopentyl methyl ether 446.34
    gamma-butyrolactone 759.84
    1-methoxy-2-propanol 579.84
    pyridine 623.82
    3-pentanone 228.35
    furfural 744.51
    n-dodecane 64.97
    diethylene glycol 494.14
    diisopropyl ether 146.35
    tert-amyl alcohol 645.94
    acetylacetone 319.24
    n-hexadecane 70.5
    acetophenone 286.01
    methyl propionate 267.85
    isopentyl acetate 316.0
    trichloroethylene 1183.05
    n-nonanol 342.75
    cyclohexanol 673.33
    benzyl alcohol 323.65
    2-ethylhexanol 377.12
    isooctanol 270.61
    dipropyl ether 304.87
    1,2-dichlorobenzene 418.97
    ethyl lactate 208.79
    propylene carbonate 548.52
    n-methylformamide 346.76
    2-pentanol 442.86
    n-pentane 161.54
    1-propoxy-2-propanol 491.34
    1-methoxy-2-propyl acetate 301.89
    2-(2-methoxypropoxy) propanol 372.84
    mesitylene 145.42
    ε-caprolactone 600.46
    p-cymene 178.31
    epichlorohydrin 712.49
    1,1,1-trichloroethane 836.95
    2-aminoethanol 539.75
    morpholine-4-carbaldehyde 549.88
    sulfolane 808.93
    2,2,4-trimethylpentane 92.37
    2-methyltetrahydrofuran 742.91
    n-hexyl acetate 471.87
    isooctane 67.89
    2-(2-butoxyethoxy)ethanol 467.36
    sec-butyl acetate 182.64
    tert-butyl acetate 271.08
    decalin 110.83
    glycerin 579.47
    diglyme 659.06
    acrylic acid 589.52
    isopropyl myristate 212.48
    n-butyric acid 781.75
    acetyl acetate 304.5
    di(2-ethylhexyl) phthalate 216.16
    ethyl propionate 210.27
    nitromethane 750.08
    1,2-diethoxyethane 265.41
    benzonitrile 479.99
    trioctyl phosphate 179.75
    1-bromopropane 473.18
    gamma-valerolactone 738.02
    n-decanol 254.2
    triethyl phosphate 173.47
    4-methyl-2-pentanol 254.48
    propionitrile 488.47
    vinylene carbonate 519.61
    1,1,2-trichlorotrifluoroethane 770.09
    DMS 276.47
    cumene 152.47
    2-octanol 272.77
    2-hexanone 267.88
    octyl acetate 275.96
    limonene 263.4
    1,2-dimethoxyethane 569.5
    ethyl orthosilicate 164.06
    tributyl phosphate 194.24
    diacetone alcohol 353.71
    N,N-dimethylaniline 228.47
    acrylonitrile 518.24
    aniline 370.71
    1,3-propanediol 559.66
    bromobenzene 456.7
    dibromomethane 1085.75
    1,1,2,2-tetrachloroethane 1174.03
    2-methyl-cyclohexyl acetate 283.01
    tetrabutyl urea 224.69
    diisobutyl methanol 200.58
    2-phenylethanol 356.5
    styrene 216.1
    dioctyl adipate 298.16
    dimethyl sulfate 226.96
    ethyl butyrate 244.01
    methyl lactate 257.45
    butyl lactate 269.02
    diethyl carbonate 203.93
    propanediol butyl ether 498.6
    triethyl orthoformate 220.88
    p-tert-butyltoluene 175.46
    methyl 4-tert-butylbenzoate 339.99
    morpholine 809.64
    tert-butylamine 614.5
    n-dodecanol 205.97
    dimethoxymethane 318.06
    ethylene carbonate 408.78
    cyrene 324.68
    2-ethoxyethyl acetate 252.03
    2-ethylhexyl acetate 251.28
    1,2,4-trichlorobenzene 502.56
    4-methylpyridine 544.41
    dibutyl ether 286.61
    2,6-dimethyl-4-heptanol 200.58
    DEF 303.29
    dimethyl isosorbide 511.96
    tetrachloroethylene 724.25
    eugenol 317.26
    triacetin 436.49
    span 80 463.34
    1,4-butanediol 289.61
    1,1-dichloroethane 786.27
    2-methyl-1-pentanol 366.74
    methyl formate 270.6
    2-methyl-1-butanol 477.88
    n-decane 97.51
    butyronitrile 552.06
    3,7-dimethyl-1-octanol 349.91
    1-chlorooctane 258.11
    1-chlorotetradecane 124.23
    n-nonane 99.22
    undecane 76.67
    tert-butylcyclohexane 106.32
    cyclooctane 98.26
    cyclopentanol 757.59
    tetrahydropyran 774.71
    tert-amyl methyl ether 309.44
    2,5,8-trioxanonane 516.18
    1-hexene 317.92
    2-isopropoxyethanol 311.32
    2,2,2-trifluoroethanol 350.67
    methyl butyrate 275.16

    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