Octanal propyleneglycol acetal

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  • Identifiers

    CAS number
    74094-61-4

    Molecular formula
    C11H22O2

    SMILES
    CCCCCCCC1OCC(O1)C

  • Odor profile

    Fragrance
    Green 85.59%
    Fruity 68.61%
    Citrus 64.87%
    Fatty 61.97%
    Fresh 61.12%
    Floral 54.72%
    Herbal 50.59%
    Waxy 43.06%
    Sweet 43.04%
    Orange 41.18%

     

    Flavor
    Green 58.54%
    Fatty 45.55%
    Fruity 42.78%
    Waxy 40.07%
    Oily 38.16%
    Sweet 37.41%
    Creamy 35.72%
    Metallic 34.08%
    Earthy 33.96%
    Fresh 33.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.76 (neutral)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point

    • 85.28 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 2-Heptyl-4-methyl-1,3-dioxolane
    • 74094-61-4
    • Octanal propyleneglycol acetal
    • 1,3-Dioxolane, 2-heptyl-4-methyl-
    • octanal propylene glycol acetal
    • EINECS 277-712-5
    • UNII-M8I6861388
    • 1,3-Dioxolane,2-heptyl-4-methyl-
    • FEMA NO. 4383
    • M8I6861388
    • DTXSID80868281
    • OCTANAL PROPYLENEGLYCOL ACETAL [FHFI]
    • (+/-)-OCTANAL PROPYLENEGLYCOL ACETAL
    • OCTANAL PROPYLENEGLYCOL ACETAL, (+/-)-
    • SCHEMBL3505696
    • DTXCID00816406
    • CHEBI:179386
    • 2-Heptyl-4-methyl-1,3-dioxolane #
    • DB-314079
    • NS00058993
    • Q27283633

  • Applications

    Octanal propyleneglycol acetal (CAS 74094-61-4) is a compound that can serve as a potential ingredient in fragrance and personal care, functioning as a fragrance component and fixative to help stabilize and extend scent in perfumes and skincare products. It also may act as an intermediate in organic synthesis and can serve as a solvent or fragrance carrier in coatings, paints, and household cleaning formulations. It may be evaluated for fragrance applications in the food sector as an intermediate. In industrial manufacturing, it can be used as an intermediate for synthetic processes and formulation of related chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10186.11
    methanol 8507.11
    isopropanol 8656.56
    water 0.54
    ethyl acetate 10027.16
    n-propanol 7856.65
    acetone 9589.07
    n-butanol 7734.56
    acetonitrile 7383.03
    DMF 3348.21
    toluene 2776.26
    isobutanol 6321.19
    1,4-dioxane 9585.35
    methyl acetate 5868.07
    THF 11384.44
    2-butanone 6705.2
    n-pentanol 5362.96
    sec-butanol 6873.49
    n-hexane 2900.69
    ethylene glycol 749.43
    NMP 2592.62
    cyclohexane 3526.0
    DMSO 6206.57
    n-butyl acetate 8326.02
    n-octanol 2100.66
    chloroform 15581.18
    n-propyl acetate 6548.63
    acetic acid 5399.03
    dichloromethane 13791.74
    cyclohexanone 8381.29
    propylene glycol 1433.24
    isopropyl acetate 7177.14
    DMAc 2724.33
    2-ethoxyethanol 4622.81
    isopentanol 7400.21
    n-heptane 1313.74
    ethyl formate 4105.33
    1,2-dichloroethane 7814.77
    n-hexanol 5864.98
    2-methoxyethanol 6233.03
    isobutyl acetate 3728.32
    tetrachloromethane 3101.42
    n-pentyl acetate 4220.66
    transcutol 11948.68
    n-heptanol 2021.36
    ethylbenzene 1432.49
    MIBK 4113.84
    2-propoxyethanol 6146.77
    tert-butanol 9051.26
    MTBE 10514.76
    2-butoxyethanol 2990.27
    propionic acid 4267.87
    o-xylene 1445.18
    formic acid 1035.02
    diethyl ether 12256.59
    m-xylene 1627.82
    p-xylene 1877.22
    chlorobenzene 3612.74
    dimethyl carbonate 1130.92
    n-octane 433.84
    formamide 1283.24
    cyclopentanone 6242.92
    2-pentanone 6875.79
    anisole 2545.89
    cyclopentyl methyl ether 6545.34
    gamma-butyrolactone 5824.31
    1-methoxy-2-propanol 5262.71
    pyridine 6503.81
    3-pentanone 4074.82
    furfural 3957.01
    n-dodecane 275.4
    diethylene glycol 2664.55
    diisopropyl ether 3581.82
    tert-amyl alcohol 6646.02
    acetylacetone 5815.28
    n-hexadecane 323.94
    acetophenone 2105.07
    methyl propionate 4374.81
    isopentyl acetate 6410.81
    trichloroethylene 11428.57
    n-nonanol 1712.52
    cyclohexanol 6558.09
    benzyl alcohol 2013.62
    2-ethylhexanol 3455.55
    isooctanol 1670.0
    dipropyl ether 5577.51
    1,2-dichlorobenzene 2914.0
    ethyl lactate 1414.07
    propylene carbonate 3826.01
    n-methylformamide 2290.19
    2-pentanol 6020.17
    n-pentane 2156.79
    1-propoxy-2-propanol 5128.24
    1-methoxy-2-propyl acetate 4548.91
    2-(2-methoxypropoxy) propanol 1950.02
    mesitylene 1162.4
    ε-caprolactone 7373.83
    p-cymene 1014.63
    epichlorohydrin 7579.25
    1,1,1-trichloroethane 8630.22
    2-aminoethanol 2134.31
    morpholine-4-carbaldehyde 3860.83
    sulfolane 4954.53
    2,2,4-trimethylpentane 678.49
    2-methyltetrahydrofuran 10282.11
    n-hexyl acetate 4884.31
    isooctane 602.08
    2-(2-butoxyethoxy)ethanol 2972.4
    sec-butyl acetate 4359.56
    tert-butyl acetate 5732.9
    decalin 950.26
    glycerin 1331.66
    diglyme 5694.12
    acrylic acid 2448.18
    isopropyl myristate 1419.61
    n-butyric acid 8665.72
    acetyl acetate 4904.52
    di(2-ethylhexyl) phthalate 917.35
    ethyl propionate 4505.86
    nitromethane 6081.31
    1,2-diethoxyethane 7320.99
    benzonitrile 3251.14
    trioctyl phosphate 747.37
    1-bromopropane 8109.11
    gamma-valerolactone 6779.6
    n-decanol 1139.9
    triethyl phosphate 1117.35
    4-methyl-2-pentanol 2945.11
    propionitrile 6235.83
    vinylene carbonate 3184.35
    1,1,2-trichlorotrifluoroethane 4643.0
    DMS 2145.4
    cumene 949.22
    2-octanol 1539.21
    2-hexanone 5237.63
    octyl acetate 1633.93
    limonene 1948.86
    1,2-dimethoxyethane 8337.99
    ethyl orthosilicate 1290.16
    tributyl phosphate 1076.85
    diacetone alcohol 3595.52
    N,N-dimethylaniline 1384.45
    acrylonitrile 4873.51
    aniline 3192.76
    1,3-propanediol 3701.07
    bromobenzene 4269.16
    dibromomethane 10759.32
    1,1,2,2-tetrachloroethane 9238.05
    2-methyl-cyclohexyl acetate 2232.27
    tetrabutyl urea 1199.77
    diisobutyl methanol 1628.93
    2-phenylethanol 2183.67
    styrene 1996.93
    dioctyl adipate 1620.88
    dimethyl sulfate 1357.66
    ethyl butyrate 4667.5
    methyl lactate 1356.67
    butyl lactate 2034.98
    diethyl carbonate 2295.89
    propanediol butyl ether 2145.72
    triethyl orthoformate 2755.15
    p-tert-butyltoluene 977.65
    methyl 4-tert-butylbenzoate 1498.45
    morpholine 11301.97
    tert-butylamine 6998.37
    n-dodecanol 836.36
    dimethoxymethane 4052.64
    ethylene carbonate 3763.48
    cyrene 1170.99
    2-ethoxyethyl acetate 3973.41
    2-ethylhexyl acetate 4510.96
    1,2,4-trichlorobenzene 3108.73
    4-methylpyridine 6332.5
    dibutyl ether 4757.6
    2,6-dimethyl-4-heptanol 1628.93
    DEF 5295.76
    dimethyl isosorbide 2696.5
    tetrachloroethylene 6177.9
    eugenol 1314.29
    triacetin 2639.32
    span 80 1941.41
    1,4-butanediol 1544.5
    1,1-dichloroethane 10165.06
    2-methyl-1-pentanol 4364.84
    methyl formate 1640.62
    2-methyl-1-butanol 5899.51
    n-decane 532.05
    butyronitrile 8371.92
    3,7-dimethyl-1-octanol 2236.48
    1-chlorooctane 1757.85
    1-chlorotetradecane 611.95
    n-nonane 602.32
    undecane 360.52
    tert-butylcyclohexane 874.12
    cyclooctane 931.33
    cyclopentanol 5343.36
    tetrahydropyran 14033.06
    tert-amyl methyl ether 5234.22
    2,5,8-trioxanonane 3044.5
    1-hexene 6753.26
    2-isopropoxyethanol 3722.63
    2,2,2-trifluoroethanol 1238.35
    methyl butyrate 6367.32

    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