Geranial propylene glycol acetal

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  • Identifiers

    CAS number
    10444-50-5

    Molecular formula
    C13H22O2

    SMILES
    CC1COC(O1)/C=C(\C)/CCC=C(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Citrus 69.03%
    Lemon 59.83%
    Floral 52.12%
    Sweet 50.23%
    Fresh 49.16%
    Herbal 44.12%
    Green 40.99%
    Aldehydic 30.93%
    Clean 28.75%
    Spicy 28.57%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 265.00 to 266.00 °C. @ 760.00 mm Hg

    Flash point est.
    92.24 ˚C

    Solubility expt.

    • slightly

  • Synonyms

    • Citral propylene glycol acetal
    • 10444-50-5
    • Geranial propylene glycol acetal
    • Citral propyleneglycol acetal
    • 2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-4-methyl-1,3-dioxolane
    • 1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4-methyl-
    • UNII-5B9769851P
    • 2-(2,6-Dimethylhepta-1,5-dienyl)-4-methyl-1,3-dioxolane
    • Citral, 1,2-propylene glycol acetal
    • 5B9769851P
    • 2-((1E)-2,6-Dimethylhepta-1,5-dienyl)-4-methyl-1,3-dioxolane
    • 1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadienyl)-4-methyl-, (E)-
    • 2-(2,6-Dimethylhepta-1,5-dienyl)-4-methyl-1,3-dioxolane, (1E)-
    • 1,3-Dioxolane, 2-((1E)-2,6-dimethyl-1,5-heptadien-1-yl)-4-methyl-
    • 197719-38-3
    • 2-(2,6-Dimethyl-1,5-heptadienyl)-4-methyl-1,3-dioxolane
    • 2-(2,6-Dimethylhepta-1,5-dien-1-yl)-4-methyl-1,3-dioxolane
    • UNII-9W7YHX7EX6
    • EINECS 233-929-7
    • 9W7YHX7EX6
    • SCHEMBL15822093
    • CHEBI:174068
    • 1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadienyl-4-methyl-
    • CCG-5567
    • geranial propylene glycol acetal (isomer)
    • BIM-0016589.P001
    • AB00079625-01
    • Q27261781
    • 2-(2,6-Dimethyl-1,5-heptadienyl-4-methyl-1,3-Dioxolane
    • 2-[(1E)-2,6-DIMETHYLHEPTA-1,5-DIEN-1-YL]-4-METHYL-1,3-DIOXOLANE

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 917.8
    methanol 712.3
    isopropanol 843.84
    water 1.54
    ethyl acetate 664.55
    n-propanol 712.29
    acetone 496.02
    n-butanol 800.62
    acetonitrile 492.72
    DMF 274.59
    toluene 479.73
    isobutanol 551.47
    1,4-dioxane 1427.53
    methyl acetate 459.28
    THF 1350.69
    2-butanone 472.85
    n-pentanol 607.07
    sec-butanol 761.55
    n-hexane 246.26
    ethylene glycol 110.29
    NMP 310.15
    cyclohexane 426.66
    DMSO 393.88
    n-butyl acetate 527.6
    n-octanol 449.7
    chloroform 2446.02
    n-propyl acetate 389.6
    acetic acid 588.03
    dichloromethane 1468.22
    cyclohexanone 663.93
    propylene glycol 312.01
    isopropyl acetate 454.88
    DMAc 421.42
    2-ethoxyethanol 623.92
    isopentanol 687.66
    n-heptane 191.93
    ethyl formate 290.93
    1,2-dichloroethane 640.0
    n-hexanol 815.87
    2-methoxyethanol 732.33
    isobutyl acetate 316.09
    tetrachloromethane 363.71
    n-pentyl acetate 347.92
    transcutol 1836.16
    n-heptanol 372.61
    ethylbenzene 261.92
    MIBK 326.87
    2-propoxyethanol 828.5
    tert-butanol 1044.17
    MTBE 816.46
    2-butoxyethanol 507.26
    propionic acid 410.56
    o-xylene 287.32
    formic acid 130.65
    diethyl ether 817.03
    m-xylene 330.75
    p-xylene 366.74
    chlorobenzene 439.62
    dimethyl carbonate 135.89
    n-octane 76.31
    formamide 146.78
    cyclopentanone 515.74
    2-pentanone 435.7
    anisole 428.95
    cyclopentyl methyl ether 653.22
    gamma-butyrolactone 511.77
    1-methoxy-2-propanol 671.35
    pyridine 709.86
    3-pentanone 329.6
    furfural 477.56
    n-dodecane 68.62
    diethylene glycol 448.21
    diisopropyl ether 294.8
    tert-amyl alcohol 791.62
    acetylacetone 418.51
    n-hexadecane 76.81
    acetophenone 341.44
    methyl propionate 354.1
    isopentyl acetate 483.66
    trichloroethylene 1182.8
    n-nonanol 399.34
    cyclohexanol 742.46
    benzyl alcohol 367.01
    2-ethylhexanol 454.33
    isooctanol 293.81
    dipropyl ether 507.07
    1,2-dichlorobenzene 392.88
    ethyl lactate 228.37
    propylene carbonate 409.31
    n-methylformamide 154.71
    2-pentanol 674.41
    n-pentane 220.92
    1-propoxy-2-propanol 654.99
    1-methoxy-2-propyl acetate 483.3
    2-(2-methoxypropoxy) propanol 489.09
    mesitylene 215.46
    ε-caprolactone 636.12
    p-cymene 197.61
    epichlorohydrin 719.86
    1,1,1-trichloroethane 899.61
    2-aminoethanol 299.36
    morpholine-4-carbaldehyde 534.49
    sulfolane 471.32
    2,2,4-trimethylpentane 104.9
    2-methyltetrahydrofuran 1025.84
    n-hexyl acetate 588.24
    isooctane 81.42
    2-(2-butoxyethoxy)ethanol 680.95
    sec-butyl acetate 322.53
    tert-butyl acetate 456.44
    decalin 145.12
    glycerin 301.84
    diglyme 1028.79
    acrylic acid 268.9
    isopropyl myristate 257.77
    n-butyric acid 730.86
    acetyl acetate 426.82
    di(2-ethylhexyl) phthalate 218.25
    ethyl propionate 327.65
    nitromethane 450.38
    1,2-diethoxyethane 702.95
    benzonitrile 405.77
    trioctyl phosphate 168.79
    1-bromopropane 620.69
    gamma-valerolactone 652.6
    n-decanol 294.2
    triethyl phosphate 188.9
    4-methyl-2-pentanol 340.93
    propionitrile 406.82
    vinylene carbonate 373.66
    1,1,2-trichlorotrifluoroethane 613.5
    DMS 328.96
    cumene 198.41
    2-octanol 288.3
    2-hexanone 371.74
    octyl acetate 323.97
    limonene 296.4
    1,2-dimethoxyethane 826.56
    ethyl orthosilicate 202.79
    tributyl phosphate 198.45
    diacetone alcohol 444.46
    N,N-dimethylaniline 285.12
    acrylonitrile 314.39
    aniline 462.74
    1,3-propanediol 460.32
    bromobenzene 494.54
    dibromomethane 1132.93
    1,1,2,2-tetrachloroethane 1155.34
    2-methyl-cyclohexyl acetate 348.34
    tetrabutyl urea 220.74
    diisobutyl methanol 239.51
    2-phenylethanol 406.42
    styrene 314.72
    dioctyl adipate 323.72
    dimethyl sulfate 151.01
    ethyl butyrate 381.05
    methyl lactate 212.68
    butyl lactate 283.65
    diethyl carbonate 279.16
    propanediol butyl ether 513.19
    triethyl orthoformate 314.31
    p-tert-butyltoluene 194.3
    methyl 4-tert-butylbenzoate 348.84
    morpholine 1452.0
    tert-butylamine 756.92
    n-dodecanol 228.96
    dimethoxymethane 399.42
    ethylene carbonate 358.27
    cyrene 320.86
    2-ethoxyethyl acetate 428.48
    2-ethylhexyl acetate 389.67
    1,2,4-trichlorobenzene 458.79
    4-methylpyridine 642.33
    dibutyl ether 498.3
    2,6-dimethyl-4-heptanol 239.51
    DEF 369.16
    dimethyl isosorbide 597.05
    tetrachloroethylene 709.78
    eugenol 331.95
    triacetin 516.27
    span 80 506.2
    1,4-butanediol 237.64
    1,1-dichloroethane 887.09
    2-methyl-1-pentanol 492.36
    methyl formate 122.25
    2-methyl-1-butanol 589.91
    n-decane 117.19
    butyronitrile 571.04
    3,7-dimethyl-1-octanol 402.69
    1-chlorooctane 297.84
    1-chlorotetradecane 136.01
    n-nonane 118.88
    undecane 84.87
    tert-butylcyclohexane 137.32
    cyclooctane 146.46
    cyclopentanol 540.01
    tetrahydropyran 1487.84
    tert-amyl methyl ether 530.7
    2,5,8-trioxanonane 704.99
    1-hexene 490.35
    2-isopropoxyethanol 473.8
    2,2,2-trifluoroethanol 167.74
    methyl butyrate 383.26

    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