Perillaldehyde propyleneglycol acetal

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  • Identifiers

    CAS number
    121199-28-8

    Molecular formula
    C13H20O2

    SMILES
    CC1COC(O1)C2=CCC(CC2)C(=C)C

  • Odor profile

    Fragrance
    Herbal 69.56%
    Spicy 66.78%
    Sweet 44.13%
    Citrus 43.5%
    Fatty 43.17%
    Mint 42.65%
    Green 41.72%
    Woody 41.23%
    Fresh 39.43%
    Floral 36.28%

     

    Flavor
    Green 50.42%
    Herbal 45.06%
    Spice 40.31%
    Minty 35.15%
    Fresh 34.09%
    Spicy 30.27%
    Mint 30.26%
    Woody 26.26%
    Fatty 26.08%
    Floral 25.99%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.89 (neutral)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    276°C

    Flash point

    • 103.42 ˚C est.

    Solubility expt.

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

  • Synonyms

    • Perillaldehyde propyleneglycol acetal
    • FEMA No. 4530
    • UNII-85A0D4PKKX
    • 85A0D4PKKX
    • 121199-28-8
    • Perillaldehyde propylene glycol acetal
    • (+-)-Perillaldehyde propyleneglycol acetal
    • 1,3-Dioxolane, 4-methyl-2-(4-(1-methylethenyl)-1-cyclohexen-1-yl)-
    • 4-Methyl-2-(4-(1-methylethenyl)- 1-cyclohexen-1-yl)-1,3-dioxolane
    • (+/-)-PERILLALDEHYDE PROPYLENEGLYCOL ACETAL
    • 1,3-Dioxolane, 4-methyl-2-[4-(1-methylethenyl)-1-cyclohexen-1-yl]-
    • SCHEMBL18339553
    • DTXSID10923711
    • perillaldehyde propylene glycol acetal;FEMA No. 4530
    • Q27269626
    • 4-methyl-2-(4-prop-1-en-2-ylcyclohexen-1-yl)-1,3-dioxolane
    • 4-METHYL-2-(4-(1-METHYLETHENYL)-1-CYCLOHEXEN-1-YL)-1,3-DIOXOLANE
    • 4-Methyl-2-[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]-1,3-dioxolane

  • Applications

    Perillaldehyde propyleneglycol acetal (CAS number: 121199-28-8) is primarily used as a fragrance and aroma ingredient in the fragrance industry, where it can act as an odorant or fixative in perfumery systems. It is also evaluated for cosmetics and personal care applications as a stable scent component that can modulate fragrance profiles. In household products and cleaners, it may serve as a fragrance additive to enhance sensory appeal. Additionally, due to its aroma-active nature and potential as a synthetic intermediate, it may be evaluated for flavor/aroma applications in food and beverage formulations or as an intermediate in fragrance synthesis, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1542.43
    methanol 1170.0
    isopropanol 1524.64
    water 0.69
    ethyl acetate 1862.12
    n-propanol 1372.04
    acetone 1336.62
    n-butanol 1448.81
    acetonitrile 1392.0
    DMF 861.15
    toluene 1204.75
    isobutanol 1095.49
    1,4-dioxane 2427.26
    methyl acetate 1168.55
    THF 2423.68
    2-butanone 1310.33
    n-pentanol 876.5
    sec-butanol 1384.4
    n-hexane 167.78
    ethylene glycol 170.69
    NMP 575.54
    cyclohexane 270.61
    DMSO 1179.0
    n-butyl acetate 1053.84
    n-octanol 374.98
    chloroform 5119.01
    n-propyl acetate 842.09
    acetic acid 1024.01
    dichloromethane 4042.29
    cyclohexanone 1273.33
    propylene glycol 376.17
    isopropyl acetate 1204.55
    DMAc 810.65
    2-ethoxyethanol 1180.91
    isopentanol 1426.78
    n-heptane 74.4
    ethyl formate 730.62
    1,2-dichloroethane 2028.9
    n-hexanol 908.76
    2-methoxyethanol 1577.62
    isobutyl acetate 567.32
    tetrachloromethane 710.02
    n-pentyl acetate 566.37
    transcutol 4845.8
    n-heptanol 368.97
    ethylbenzene 470.52
    MIBK 849.18
    2-propoxyethanol 1328.18
    tert-butanol 1682.49
    MTBE 1916.79
    2-butoxyethanol 677.5
    propionic acid 733.59
    o-xylene 538.22
    formic acid 278.9
    diethyl ether 2136.79
    m-xylene 712.3
    p-xylene 524.97
    chlorobenzene 1110.56
    dimethyl carbonate 421.42
    n-octane 30.68
    formamide 468.44
    cyclopentanone 1162.59
    2-pentanone 1210.89
    anisole 940.14
    cyclopentyl methyl ether 1237.2
    gamma-butyrolactone 1183.26
    1-methoxy-2-propanol 1467.48
    pyridine 1776.85
    3-pentanone 890.5
    furfural 1226.05
    n-dodecane 27.24
    diethylene glycol 830.94
    diisopropyl ether 589.73
    tert-amyl alcohol 1342.94
    acetylacetone 1171.35
    n-hexadecane 32.47
    acetophenone 704.27
    methyl propionate 960.65
    isopentyl acetate 983.52
    trichloroethylene 3545.76
    n-nonanol 334.2
    cyclohexanol 1072.86
    benzyl alcohol 699.59
    2-ethylhexanol 524.2
    isooctanol 330.61
    dipropyl ether 628.3
    1,2-dichlorobenzene 910.84
    ethyl lactate 363.55
    propylene carbonate 793.78
    n-methylformamide 544.88
    2-pentanol 1178.6
    n-pentane 194.14
    1-propoxy-2-propanol 968.22
    1-methoxy-2-propyl acetate 999.97
    2-(2-methoxypropoxy) propanol 778.4
    mesitylene 403.06
    ε-caprolactone 1196.83
    p-cymene 256.49
    epichlorohydrin 2058.19
    1,1,1-trichloroethane 2008.91
    2-aminoethanol 501.83
    morpholine-4-carbaldehyde 1164.63
    sulfolane 952.07
    2,2,4-trimethylpentane 107.21
    2-methyltetrahydrofuran 1966.25
    n-hexyl acetate 789.64
    isooctane 107.72
    2-(2-butoxyethoxy)ethanol 1156.53
    sec-butyl acetate 715.04
    tert-butyl acetate 1100.76
    decalin 125.75
    glycerin 448.62
    diglyme 1875.41
    acrylic acid 520.27
    isopropyl myristate 283.83
    n-butyric acid 1337.4
    acetyl acetate 993.07
    di(2-ethylhexyl) phthalate 273.5
    ethyl propionate 726.28
    nitromethane 1206.18
    1,2-diethoxyethane 1577.96
    benzonitrile 947.77
    trioctyl phosphate 174.89
    1-bromopropane 1535.17
    gamma-valerolactone 1456.56
    n-decanol 233.02
    triethyl phosphate 281.71
    4-methyl-2-pentanol 676.12
    propionitrile 1105.32
    vinylene carbonate 769.53
    1,1,2-trichlorotrifluoroethane 1217.39
    DMS 594.41
    cumene 319.46
    2-octanol 257.65
    2-hexanone 744.73
    octyl acetate 348.8
    limonene 352.21
    1,2-dimethoxyethane 1582.79
    ethyl orthosilicate 289.37
    tributyl phosphate 248.86
    diacetone alcohol 920.38
    N,N-dimethylaniline 519.58
    acrylonitrile 1017.12
    aniline 1185.11
    1,3-propanediol 895.79
    bromobenzene 1299.49
    dibromomethane 2764.6
    1,1,2,2-tetrachloroethane 2884.14
    2-methyl-cyclohexyl acetate 479.84
    tetrabutyl urea 264.61
    diisobutyl methanol 328.34
    2-phenylethanol 660.36
    styrene 640.68
    dioctyl adipate 374.24
    dimethyl sulfate 442.36
    ethyl butyrate 677.46
    methyl lactate 457.02
    butyl lactate 428.38
    diethyl carbonate 440.95
    propanediol butyl ether 692.99
    triethyl orthoformate 457.68
    p-tert-butyltoluene 248.06
    methyl 4-tert-butylbenzoate 526.28
    morpholine 2625.88
    tert-butylamine 1258.26
    n-dodecanol 172.69
    dimethoxymethane 1126.84
    ethylene carbonate 725.22
    cyrene 467.07
    2-ethoxyethyl acetate 887.89
    2-ethylhexyl acetate 706.39
    1,2,4-trichlorobenzene 1043.89
    4-methylpyridine 1774.15
    dibutyl ether 578.18
    2,6-dimethyl-4-heptanol 328.34
    DEF 965.72
    dimethyl isosorbide 937.58
    tetrachloroethylene 1673.63
    eugenol 523.49
    triacetin 716.49
    span 80 565.11
    1,4-butanediol 370.77
    1,1-dichloroethane 2447.31
    2-methyl-1-pentanol 897.23
    methyl formate 418.35
    2-methyl-1-butanol 1240.24
    n-decane 50.58
    butyronitrile 1307.1
    3,7-dimethyl-1-octanol 495.79
    1-chlorooctane 268.79
    1-chlorotetradecane 97.95
    n-nonane 48.01
    undecane 35.39
    tert-butylcyclohexane 120.09
    cyclooctane 94.42
    cyclopentanol 802.75
    tetrahydropyran 2379.37
    tert-amyl methyl ether 1057.25
    2,5,8-trioxanonane 1194.08
    1-hexene 637.68
    2-isopropoxyethanol 867.99
    2,2,2-trifluoroethanol 326.25
    methyl butyrate 878.63

    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