Hydroxycitronellal propyleneglycol acetal

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  • Identifiers

    CAS number
    93804-64-9

    Molecular formula
    C13H26O3

    SMILES
    CC1COC(O1)CC(C)CCCC(C)(C)O

  • Odor profile

    Fragrance
    Floral 91.59%
    Green 78.27%
    Lily 62.28%
    Muguet 59.87%
    Fresh 45.43%
    Rose 43.56%
    Sweet 39.53%
    Citrus 32.52%
    Herbal 29.92%
    Clean 27.69%

     

    Flavor
    Green 78.88%
    Floral 44.95%
    Earthy 38.28%
    Tropical 37.72%
    Waxy 33.16%
    Mild 30.33%
    Herbal 29.77%
    Minty 29.3%
    Oily 28.57%
    Lily 27.35%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.19 (weak base)

    Molecular weight
    230.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    289°C

    Flash point

    • 111.44 ˚C est.

    Solubility expt.

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

  • Synonyms

    • Hydroxycitronellal propyleneglycol acetal
    • 93804-64-9
    • UNII-YVA11ARE3N
    • YVA11ARE3N
    • 2,6-dimethyl-7-(4-methyl-1,3-dioxolan-2-yl)heptan-2-ol
    • EINECS 298-441-9
    • FEMA NO. 4485
    • alpha,alpha,epsilon,4-Tetramethyl-1,3-dioxolane-2-hexanol
    • 1,3-Dioxolane-2-hexanol, alpha,alpha,epsilon,4-tetramethyl-
    • HYDROXYCITRONELLAL PROPYLENE GLYCOL ACETAL
    • (+/-)-HYDROXYCITRONELLAL PROPYLENEGLYCOL ACETAL
    • 1,3-DIOXOLANE-2-HEXANOL, .ALPHA.,.ALPHA.,.EPSILON.,4-TETRAMETHYL-
    • Oprea1_616138
    • SCHEMBL1245798
    • DTXSID10917832
    • AKZXNDJMPSPJQM-UHFFFAOYSA-N
    • HMS1580A19
    • NS00064011
    • AB00079416-01
    • Q27294733

  • Applications

    Hydroxycitronellal propyleneglycol acetal, CAS 93804-64-9, is a fragrance-related acetal primarily used as an odorant and fixative in perfumery, helping to extend fragrance release and stability. In cosmetics and personal care, it is commonly included as a fragrance ingredient in products such as moisturizers, body care products, and shampoos. It can also be used in household products and cleaners (soaps, surface cleaners, laundry aids) as a scent component, or as a fragrance-release additive in coatings, inks, and adhesives to improve odor diffusion. It may function as an intermediate in fragrance synthesis, depending on formulation and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3736.73
    methanol 5084.09
    isopropanol 2965.01
    water 33.7
    ethyl acetate 1108.11
    n-propanol 2175.95
    acetone 1250.71
    n-butanol 1821.37
    acetonitrile 912.45
    DMF 964.63
    toluene 320.72
    isobutanol 1525.35
    1,4-dioxane 2504.35
    methyl acetate 841.25
    THF 2697.45
    2-butanone 766.55
    n-pentanol 1242.25
    sec-butanol 1623.27
    n-hexane 123.61
    ethylene glycol 807.04
    NMP 668.87
    cyclohexane 219.96
    DMSO 1156.38
    n-butyl acetate 772.85
    n-octanol 857.69
    chloroform 2397.67
    n-propyl acetate 710.93
    acetic acid 2375.2
    dichloromethane 1511.76
    cyclohexanone 1072.34
    propylene glycol 1568.35
    isopropyl acetate 819.06
    DMAc 867.15
    2-ethoxyethanol 1743.8
    isopentanol 1316.64
    n-heptane 125.6
    ethyl formate 804.62
    1,2-dichloroethane 645.02
    n-hexanol 1432.54
    2-methoxyethanol 2600.95
    isobutyl acetate 568.33
    tetrachloromethane 328.84
    n-pentyl acetate 541.36
    transcutol 3774.49
    n-heptanol 682.32
    ethylbenzene 192.99
    MIBK 528.59
    2-propoxyethanol 1974.69
    tert-butanol 2695.92
    MTBE 1304.17
    2-butoxyethanol 1152.82
    propionic acid 1259.08
    o-xylene 224.43
    formic acid 992.93
    diethyl ether 993.98
    m-xylene 256.23
    p-xylene 306.52
    chlorobenzene 394.04
    dimethyl carbonate 260.86
    n-octane 60.8
    formamide 772.75
    cyclopentanone 924.7
    2-pentanone 694.54
    anisole 500.28
    cyclopentyl methyl ether 890.17
    gamma-butyrolactone 1161.09
    1-methoxy-2-propanol 2047.52
    pyridine 784.39
    3-pentanone 427.05
    furfural 955.79
    n-dodecane 61.8
    diethylene glycol 1466.49
    diisopropyl ether 348.8
    tert-amyl alcohol 1566.9
    acetylacetone 826.97
    n-hexadecane 66.76
    acetophenone 409.19
    methyl propionate 599.96
    isopentyl acetate 720.73
    trichloroethylene 1257.99
    n-nonanol 711.18
    cyclohexanol 1231.11
    benzyl alcohol 568.1
    2-ethylhexanol 638.63
    isooctanol 496.42
    dipropyl ether 588.41
    1,2-dichlorobenzene 361.82
    ethyl lactate 441.23
    propylene carbonate 836.88
    n-methylformamide 776.16
    2-pentanol 1054.57
    n-pentane 122.44
    1-propoxy-2-propanol 1403.83
    1-methoxy-2-propyl acetate 847.17
    2-(2-methoxypropoxy) propanol 812.47
    mesitylene 187.19
    ε-caprolactone 1117.99
    p-cymene 173.71
    epichlorohydrin 1195.11
    1,1,1-trichloroethane 808.58
    2-aminoethanol 1641.57
    morpholine-4-carbaldehyde 1359.84
    sulfolane 869.34
    2,2,4-trimethylpentane 80.23
    2-methyltetrahydrofuran 1453.58
    n-hexyl acetate 954.89
    isooctane 74.74
    2-(2-butoxyethoxy)ethanol 1455.62
    sec-butyl acetate 484.37
    tert-butyl acetate 799.5
    decalin 92.82
    glycerin 1462.92
    diglyme 2042.42
    acrylic acid 801.32
    isopropyl myristate 339.37
    n-butyric acid 1886.1
    acetyl acetate 727.67
    di(2-ethylhexyl) phthalate 300.94
    ethyl propionate 494.5
    nitromethane 1675.07
    1,2-diethoxyethane 993.87
    benzonitrile 547.79
    trioctyl phosphate 249.27
    1-bromopropane 515.43
    gamma-valerolactone 1664.48
    n-decanol 488.06
    triethyl phosphate 234.32
    4-methyl-2-pentanol 644.69
    propionitrile 755.19
    vinylene carbonate 768.65
    1,1,2-trichlorotrifluoroethane 1205.59
    DMS 440.32
    cumene 166.67
    2-octanol 487.3
    2-hexanone 576.2
    octyl acetate 441.24
    limonene 279.57
    1,2-dimethoxyethane 1958.22
    ethyl orthosilicate 254.36
    tributyl phosphate 286.56
    diacetone alcohol 885.1
    N,N-dimethylaniline 312.72
    acrylonitrile 628.46
    aniline 545.88
    1,3-propanediol 1998.67
    bromobenzene 366.42
    dibromomethane 1007.98
    1,1,2,2-tetrachloroethane 1147.91
    2-methyl-cyclohexyl acetate 431.17
    tetrabutyl urea 320.05
    diisobutyl methanol 324.43
    2-phenylethanol 591.64
    styrene 226.93
    dioctyl adipate 422.55
    dimethyl sulfate 290.96
    ethyl butyrate 517.44
    methyl lactate 520.48
    butyl lactate 521.08
    diethyl carbonate 351.55
    propanediol butyl ether 1327.15
    triethyl orthoformate 435.93
    p-tert-butyltoluene 183.97
    methyl 4-tert-butylbenzoate 485.76
    morpholine 2606.77
    tert-butylamine 1511.21
    n-dodecanol 354.07
    dimethoxymethane 985.25
    ethylene carbonate 779.38
    cyrene 512.18
    2-ethoxyethyl acetate 684.27
    2-ethylhexyl acetate 519.41
    1,2,4-trichlorobenzene 443.75
    4-methylpyridine 754.89
    dibutyl ether 663.46
    2,6-dimethyl-4-heptanol 324.43
    DEF 658.59
    dimethyl isosorbide 943.24
    tetrachloroethylene 734.01
    eugenol 483.8
    triacetin 765.87
    span 80 862.27
    1,4-butanediol 968.84
    1,1-dichloroethane 942.89
    2-methyl-1-pentanol 824.72
    methyl formate 576.15
    2-methyl-1-butanol 1060.86
    n-decane 111.07
    butyronitrile 985.8
    3,7-dimethyl-1-octanol 635.45
    1-chlorooctane 350.66
    1-chlorotetradecane 134.02
    n-nonane 106.81
    undecane 77.34
    tert-butylcyclohexane 99.26
    cyclooctane 78.7
    cyclopentanol 1211.36
    tetrahydropyran 1926.19
    tert-amyl methyl ether 694.24
    2,5,8-trioxanonane 1338.64
    1-hexene 361.83
    2-isopropoxyethanol 1172.58
    2,2,2-trifluoroethanol 622.9
    methyl butyrate 656.71

    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