2,6-Dimethyl-5-heptenal propylene glycol acetal

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  • Identifiers

    CAS number
    74094-63-6

    Molecular formula
    C12H22O2

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

  • Odor profile

    Fragrance
    Green 83.78%
    Citrus 56.84%
    Fresh 42.71%
    Floral 40.01%
    Herbal 38.35%
    Lemon 36.43%
    Fatty 33.37%
    Leafy 29.08%
    Aldehydic 28.59%
    Fruity 27.79%

     

    Flavor
    Green 72.11%
    Herbal 56.78%
    Floral 50.82%
    Fresh 37.84%
    Earthy 34.25%
    Tropical 33.17%
    Flower 32.29%
    Minty 32.23%
    Spicy 32.0%
    Herb 30.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.84 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    231°C

    Flash point

    • 83.88 ˚C est.

    Solubility expt.

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

  • Synonyms

    • 74094-63-6
    • 2,6-Dimethyl-5-heptenal propyleneglycol acetal
    • FEMA No. 4382
    • 4DAS66OCPK
    • Melon heptenal propylene glycol acetal
    • 1,3-Dioxolane, 2-(1,5-dimethyl-4-hexenyl)-4-methyl-
    • UNII-4DAS66OCPK
    • Melonal PG Acetal
    • 2-(1,5-DIMETHYL-4-HEXENYL)-4-METHYL-1,3-DIOXOLANE
    • 4-METHYL-2-(6-METHYLHEPT-5-EN-2-YL)-1,3-DIOXOLANE
    • 2,6-dimethyl-5-heptenal propylene glycol acetal
    • (+/-)-2,6-DIMETHYL-5-HEPTENAL PROPYLENEGLYCOL ACETAL
    • 2,6-DIMETHYL-5-HEPTENAL PROPYLENEGLYCOL ACETAL [FHFI]
    • 2,6-DIMETHYL-5-HEPTENAL PROPYLENEGLYCOL ACETAL, (+/-)-
    • 1,3-DIOXOLANE, 2-(1,5-DIMETHYL-4-HEXEN-1-YL)-4-METHYL-
    • SCHEMBL18339365
    • DTXSID00868283
    • CHEBI:171825
    • UVCDCGGGCGCIRU-UHFFFAOYSA-N
    • DB-301619
    • Q27259440
    • 616-048-6

  • Applications

    2,6-Dimethyl-5-heptenal propylene glycol acetal (CAS 74094-63-6) is commonly used in fragrance-related applications as a fragrance ingredient and fixative to help extend scent duration, and it may also serve as a solvent or processing aid in coatings and inks. In cosmetics and personal care, it can function as an odorant carrier or fragrance component, while in household products it may be employed to impart or stabilize aroma profiles. The compound is also evaluated as an intermediate or processing aid in polymer/plastics formulations. These roles are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1648.57
    methanol 1355.12
    isopropanol 1414.96
    water 2.13
    ethyl acetate 1637.48
    n-propanol 1377.15
    acetone 1249.01
    n-butanol 1651.4
    acetonitrile 1288.66
    DMF 781.44
    toluene 1190.49
    isobutanol 1248.87
    1,4-dioxane 1949.44
    methyl acetate 1066.01
    THF 2163.29
    2-butanone 1280.69
    n-pentanol 1400.2
    sec-butanol 1552.31
    n-hexane 773.69
    ethylene glycol 197.91
    NMP 860.81
    cyclohexane 802.86
    DMSO 1063.91
    n-butyl acetate 1658.9
    n-octanol 829.31
    chloroform 5508.73
    n-propyl acetate 1164.03
    acetic acid 1395.95
    dichloromethane 4312.58
    cyclohexanone 1614.7
    propylene glycol 383.14
    isopropyl acetate 1232.07
    DMAc 999.64
    2-ethoxyethanol 1275.14
    isopentanol 1783.08
    n-heptane 394.93
    ethyl formate 783.58
    1,2-dichloroethane 1932.48
    n-hexanol 1634.49
    2-methoxyethanol 1372.28
    isobutyl acetate 851.6
    tetrachloromethane 1221.22
    n-pentyl acetate 999.29
    transcutol 3887.31
    n-heptanol 740.7
    ethylbenzene 737.69
    MIBK 921.95
    2-propoxyethanol 1653.11
    tert-butanol 1769.58
    MTBE 2042.7
    2-butoxyethanol 1055.34
    propionic acid 882.83
    o-xylene 775.08
    formic acid 349.26
    diethyl ether 1975.39
    m-xylene 842.68
    p-xylene 941.36
    chlorobenzene 1284.82
    dimethyl carbonate 330.82
    n-octane 144.58
    formamide 405.8
    cyclopentanone 1272.11
    2-pentanone 1266.35
    anisole 988.47
    cyclopentyl methyl ether 1434.47
    gamma-butyrolactone 1257.68
    1-methoxy-2-propanol 1193.8
    pyridine 1424.44
    3-pentanone 961.94
    furfural 1275.41
    n-dodecane 102.43
    diethylene glycol 851.1
    diisopropyl ether 799.82
    tert-amyl alcohol 1746.7
    acetylacetone 1058.66
    n-hexadecane 116.71
    acetophenone 875.09
    methyl propionate 822.73
    isopentyl acetate 1487.01
    trichloroethylene 3536.39
    n-nonanol 694.99
    cyclohexanol 1521.81
    benzyl alcohol 840.03
    2-ethylhexanol 1112.6
    isooctanol 655.8
    dipropyl ether 1164.17
    1,2-dichlorobenzene 1198.42
    ethyl lactate 476.19
    propylene carbonate 1050.45
    n-methylformamide 457.44
    2-pentanol 1461.68
    n-pentane 599.26
    1-propoxy-2-propanol 1305.38
    1-methoxy-2-propyl acetate 1129.08
    2-(2-methoxypropoxy) propanol 915.29
    mesitylene 561.85
    ε-caprolactone 1553.44
    p-cymene 501.38
    epichlorohydrin 1812.35
    1,1,1-trichloroethane 2471.47
    2-aminoethanol 516.17
    morpholine-4-carbaldehyde 1209.66
    sulfolane 1249.4
    2,2,4-trimethylpentane 318.5
    2-methyltetrahydrofuran 2136.83
    n-hexyl acetate 1429.52
    isooctane 237.33
    2-(2-butoxyethoxy)ethanol 1283.63
    sec-butyl acetate 969.07
    tert-butyl acetate 1162.28
    decalin 365.11
    glycerin 442.78
    diglyme 1984.79
    acrylic acid 680.0
    isopropyl myristate 505.58
    n-butyric acid 1677.97
    acetyl acetate 1115.77
    di(2-ethylhexyl) phthalate 439.56
    ethyl propionate 893.52
    nitromethane 1200.85
    1,2-diethoxyethane 1689.42
    benzonitrile 1143.79
    trioctyl phosphate 331.49
    1-bromopropane 1845.75
    gamma-valerolactone 1467.44
    n-decanol 490.59
    triethyl phosphate 433.55
    4-methyl-2-pentanol 863.83
    propionitrile 1105.8
    vinylene carbonate 961.54
    1,1,2-trichlorotrifluoroethane 1502.1
    DMS 719.52
    cumene 522.81
    2-octanol 568.17
    2-hexanone 1128.76
    octyl acetate 630.8
    limonene 749.81
    1,2-dimethoxyethane 1755.44
    ethyl orthosilicate 470.2
    tributyl phosphate 447.29
    diacetone alcohol 951.62
    N,N-dimethylaniline 703.43
    acrylonitrile 942.98
    aniline 1075.21
    1,3-propanediol 858.36
    bromobenzene 1486.3
    dibromomethane 3200.8
    1,1,2,2-tetrachloroethane 3024.51
    2-methyl-cyclohexyl acetate 823.39
    tetrabutyl urea 468.15
    diisobutyl methanol 561.68
    2-phenylethanol 895.35
    styrene 859.73
    dioctyl adipate 626.72
    dimethyl sulfate 437.47
    ethyl butyrate 1071.24
    methyl lactate 417.65
    butyl lactate 673.41
    diethyl carbonate 680.97
    propanediol butyl ether 934.91
    triethyl orthoformate 751.49
    p-tert-butyltoluene 473.71
    methyl 4-tert-butylbenzoate 730.98
    morpholine 2004.81
    tert-butylamine 1465.07
    n-dodecanol 372.07
    dimethoxymethane 822.98
    ethylene carbonate 882.39
    cyrene 627.67
    2-ethoxyethyl acetate 1076.84
    2-ethylhexyl acetate 1220.76
    1,2,4-trichlorobenzene 1322.93
    4-methylpyridine 1688.43
    dibutyl ether 1123.2
    2,6-dimethyl-4-heptanol 561.68
    DEF 1115.04
    dimethyl isosorbide 1141.59
    tetrachloroethylene 2051.84
    eugenol 688.19
    triacetin 1063.05
    span 80 833.0
    1,4-butanediol 482.9
    1,1-dichloroethane 2414.96
    2-methyl-1-pentanol 1409.98
    methyl formate 375.5
    2-methyl-1-butanol 1662.96
    n-decane 192.56
    butyronitrile 1517.84
    3,7-dimethyl-1-octanol 904.22
    1-chlorooctane 653.63
    1-chlorotetradecane 247.1
    n-nonane 200.15
    undecane 132.42
    tert-butylcyclohexane 349.34
    cyclooctane 317.72
    cyclopentanol 1071.33
    tetrahydropyran 2356.44
    tert-amyl methyl ether 1513.13
    2,5,8-trioxanonane 1226.57
    1-hexene 1515.37
    2-isopropoxyethanol 1040.33
    2,2,2-trifluoroethanol 440.94
    methyl butyrate 1140.8

    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