1,3-Dioxolane, 2-(2,6-dimethyl-5-heptenyl)-4-methyl-

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  • Identifiers

    CAS number
    74094-64-7

    Molecular formula
    C13H24O2

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

  • Odor profile

    Fragrance
    Green 80.63%
    Floral 76.05%
    Citrus 59.88%
    Herbal 53.96%
    Fresh 46.03%
    Lemon 44.08%
    Sweet 39.9%
    Lily 37.19%
    Muguet 36.89%
    Rose 35.81%

     

    Flavor
    Green 65.34%
    Floral 48.41%
    Herbal 45.66%
    Fresh 38.57%
    Tropical 32.62%
    Waxy 31.87%
    Flower 29.78%
    Earthy 29.73%
    Minty 26.27%
    Spice 26.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.54 (weak base)

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Flash point

    • 85.51 ˚C est.

  • Synonyms

    • 74094-64-7
    • 2-(2,6-Dimethylhept-5-enyl)-4-methyl-1,3-dioxolane
    • EINECS 277-713-0
    • 1,3-Dioxolane, 2-(2,6-dimethyl-5-heptenyl)-4-methyl-
    • 1,3-Dioxolane,2-(2,6-dimethyl-5-hepten-1-yl)-4-methyl-
    • 2-(2,6-DIMETHYLHEPT-5-EN-1-YL)-4-METHYL-1,3-DIOXOLANE
    • CBMicro_016380
    • DTXSID60868284
    • LSKGUOZAKOLOMT-UHFFFAOYSA-N
    • CCG-5473
    • AKOS025296116
    • BIM-0016458.P001
    • NS00059442
    • AB00079445-01

  • Applications

    1,3-Dioxolane, 2-(2,6-dimethyl-5-heptenyl)-4-methyl- (CAS 74094-64-7) is used primarily as a fragrance material in perfumery, serving as an odorant and, where applicable, as a potential fixative. It may appear as a fragrance ingredient in cosmetics and personal care formulations, and as an odorant or scent modifier in household products such as cleaners and air fresheners. In coatings and inks, it functions as a fragrance additive to impart or modify aromas during processing and use. In industrial manufacturing, it is often employed as an intermediate for the synthesis of specialty aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2401.66
    methanol 1824.09
    isopropanol 2198.15
    water 2.71
    ethyl acetate 1443.29
    n-propanol 1792.15
    acetone 1102.84
    n-butanol 1947.95
    acetonitrile 1140.59
    DMF 516.43
    toluene 844.04
    isobutanol 1413.33
    1,4-dioxane 2781.06
    methyl acetate 911.33
    THF 2619.25
    2-butanone 970.39
    n-pentanol 1504.21
    sec-butanol 1848.39
    n-hexane 528.63
    ethylene glycol 236.62
    NMP 513.44
    cyclohexane 887.79
    DMSO 753.29
    n-butyl acetate 1148.67
    n-octanol 954.21
    chloroform 4542.78
    n-propyl acetate 860.88
    acetic acid 1275.9
    dichloromethane 2825.49
    cyclohexanone 1383.79
    propylene glycol 611.71
    isopropyl acetate 1017.72
    DMAc 643.48
    2-ethoxyethanol 1300.85
    isopentanol 1669.63
    n-heptane 410.99
    ethyl formate 666.55
    1,2-dichloroethane 1201.27
    n-hexanol 1818.81
    2-methoxyethanol 1507.04
    isobutyl acetate 651.02
    tetrachloromethane 760.72
    n-pentyl acetate 777.55
    transcutol 3585.98
    n-heptanol 776.76
    ethylbenzene 457.51
    MIBK 666.75
    2-propoxyethanol 1676.12
    tert-butanol 2448.45
    MTBE 1884.61
    2-butoxyethanol 1021.58
    propionic acid 878.77
    o-xylene 499.98
    formic acid 276.33
    diethyl ether 1798.01
    m-xylene 565.49
    p-xylene 643.3
    chlorobenzene 824.7
    dimethyl carbonate 217.93
    n-octane 150.62
    formamide 282.82
    cyclopentanone 939.84
    2-pentanone 959.08
    anisole 715.95
    cyclopentyl methyl ether 1281.95
    gamma-butyrolactone 970.38
    1-methoxy-2-propanol 1363.85
    pyridine 1298.1
    3-pentanone 634.02
    furfural 874.28
    n-dodecane 123.41
    diethylene glycol 858.51
    diisopropyl ether 636.6
    tert-amyl alcohol 1763.89
    acetylacetone 830.7
    n-hexadecane 138.34
    acetophenone 561.62
    methyl propionate 653.33
    isopentyl acetate 1050.8
    trichloroethylene 2091.51
    n-nonanol 806.58
    cyclohexanol 1651.72
    benzyl alcohol 670.21
    2-ethylhexanol 971.18
    isooctanol 609.0
    dipropyl ether 1067.29
    1,2-dichlorobenzene 692.25
    ethyl lactate 392.38
    propylene carbonate 780.23
    n-methylformamide 334.25
    2-pentanol 1525.75
    n-pentane 476.71
    1-propoxy-2-propanol 1315.84
    1-methoxy-2-propyl acetate 902.08
    2-(2-methoxypropoxy) propanol 809.96
    mesitylene 378.65
    ε-caprolactone 1308.19
    p-cymene 350.62
    epichlorohydrin 1363.67
    1,1,1-trichloroethane 1704.63
    2-aminoethanol 664.55
    morpholine-4-carbaldehyde 931.46
    sulfolane 823.9
    2,2,4-trimethylpentane 209.72
    2-methyltetrahydrofuran 2087.69
    n-hexyl acetate 1224.1
    isooctane 165.72
    2-(2-butoxyethoxy)ethanol 1245.17
    sec-butyl acetate 655.94
    tert-butyl acetate 916.92
    decalin 271.0
    glycerin 556.03
    diglyme 1920.92
    acrylic acid 522.35
    isopropyl myristate 455.83
    n-butyric acid 1707.05
    acetyl acetate 835.89
    di(2-ethylhexyl) phthalate 364.05
    ethyl propionate 633.68
    nitromethane 955.37
    1,2-diethoxyethane 1366.81
    benzonitrile 800.28
    trioctyl phosphate 289.76
    1-bromopropane 1241.39
    gamma-valerolactone 1285.39
    n-decanol 563.92
    triethyl phosphate 307.24
    4-methyl-2-pentanol 755.77
    propionitrile 1000.24
    vinylene carbonate 693.32
    1,1,2-trichlorotrifluoroethane 1099.94
    DMS 540.05
    cumene 332.39
    2-octanol 613.59
    2-hexanone 770.84
    octyl acetate 580.76
    limonene 574.19
    1,2-dimethoxyethane 1672.08
    ethyl orthosilicate 340.28
    tributyl phosphate 342.55
    diacetone alcohol 808.22
    N,N-dimethylaniline 454.05
    acrylonitrile 700.8
    aniline 877.14
    1,3-propanediol 1080.39
    bromobenzene 908.63
    dibromomethane 2136.13
    1,1,2,2-tetrachloroethane 2021.12
    2-methyl-cyclohexyl acetate 621.05
    tetrabutyl urea 373.15
    diisobutyl methanol 465.31
    2-phenylethanol 748.02
    styrene 560.86
    dioctyl adipate 533.92
    dimethyl sulfate 238.19
    ethyl butyrate 771.83
    methyl lactate 363.65
    butyl lactate 538.57
    diethyl carbonate 488.47
    propanediol butyl ether 986.21
    triethyl orthoformate 569.13
    p-tert-butyltoluene 344.05
    methyl 4-tert-butylbenzoate 566.59
    morpholine 2790.11
    tert-butylamine 1824.29
    n-dodecanol 421.92
    dimethoxymethane 716.42
    ethylene carbonate 699.11
    cyrene 501.2
    2-ethoxyethyl acetate 822.63
    2-ethylhexyl acetate 818.24
    1,2,4-trichlorobenzene 783.47
    4-methylpyridine 1270.52
    dibutyl ether 1052.29
    2,6-dimethyl-4-heptanol 465.31
    DEF 721.89
    dimethyl isosorbide 961.48
    tetrachloroethylene 1279.66
    eugenol 533.16
    triacetin 895.16
    span 80 847.51
    1,4-butanediol 525.58
    1,1-dichloroethane 1750.7
    2-methyl-1-pentanol 1123.56
    methyl formate 251.03
    2-methyl-1-butanol 1398.13
    n-decane 227.84
    butyronitrile 1415.12
    3,7-dimethyl-1-octanol 769.0
    1-chlorooctane 586.95
    1-chlorotetradecane 235.53
    n-nonane 237.15
    undecane 155.41
    tert-butylcyclohexane 255.11
    cyclooctane 285.59
    cyclopentanol 1237.64
    tetrahydropyran 3101.59
    tert-amyl methyl ether 1078.64
    2,5,8-trioxanonane 1188.59
    1-hexene 1078.89
    2-isopropoxyethanol 969.64
    2,2,2-trifluoroethanol 323.62
    methyl butyrate 805.91

    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