1,3-Dioxolane-4-methanol, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-

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  • Identifiers

    CAS number
    5694-82-6

    Molecular formula
    C13H22O3

    SMILES
    CC(=CCCC(=CC1OCC(O1)CO)C)C

    Safety labels

  • Odor profile

    Fragrance
    Citrus 52.08%
    Floral 49.15%
    Sweet 47.14%
    Lemon 44.69%
    Fresh 44.51%
    Green 31.91%
    Herbal 28.94%
    Lily 28.57%
    Aldehydic 26.93%
    Muguet 26.47%

     

    Flavor
    Green 63.08%
    Floral 53.89%
    Herbal 49.1%
    Fresh 43.88%
    Flower 33.92%
    Waxy 31.66%
    Spicy 28.86%
    Fatty 28.38%
    Bitter 27.75%
    Oily 27.07%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    8.18 (weak base)

    Molecular weight
    226.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    347°C

    Flash point

    • 131.76 ˚C est.

  • Synonyms

    • DTXSID00863596
    • 1,3-Dioxolane-4-methanol, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-
    • RefChem:414939
    • DTXCID80812188
    • 5694-82-6
    • 1,3-Dioxolane-4-methanol, 2-(2,6-dimethyl-1,5-heptadienyl)-
    • PARQKBHRABMRKU-UHFFFAOYSA-N
    • NS00046096
    • [2-(2,6-dimethylhepta-1,5-dien-1-yl)-1,3-dioxolan-4-yl]methanol
    • 5694-82-6

  • Applications

    1,3-Dioxolane-4-methanol, 2-(2,6-dimethyl-1,5-heptadien-1-yl)- (CAS 5694-82-6) is commonly evaluated as an intermediate in fragrance and cosmetic chemistry, where the terpenoid-like side chain can contribute to odor profiles and serve as a fragrance precursor or fixative; it can also function as a protected carbonyl/diol building block in organic synthesis for pharmaceuticals, agrochemicals, and polymer-related applications, and may be used as a specialty intermediate in industrial manufacturing and in coatings or plastics formulations, subject to formulation needs and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 845.03
    methanol 811.27
    isopropanol 652.65
    water 1.86
    ethyl acetate 380.95
    n-propanol 590.11
    acetone 290.74
    n-butanol 598.98
    acetonitrile 319.56
    DMF 186.14
    toluene 143.66
    isobutanol 363.91
    1,4-dioxane 718.36
    methyl acetate 267.37
    THF 725.6
    2-butanone 271.51
    n-pentanol 370.87
    sec-butanol 525.05
    n-hexane 26.73
    ethylene glycol 128.36
    NMP 160.38
    cyclohexane 71.96
    DMSO 428.92
    n-butyl acetate 201.19
    n-octanol 152.68
    chloroform 1091.02
    n-propyl acetate 208.86
    acetic acid 510.92
    dichloromethane 763.66
    cyclohexanone 308.13
    propylene glycol 367.52
    isopropyl acetate 204.58
    DMAc 267.99
    2-ethoxyethanol 541.39
    isopentanol 403.67
    n-heptane 23.62
    ethyl formate 191.53
    1,2-dichloroethane 344.67
    n-hexanol 325.4
    2-methoxyethanol 757.89
    isobutyl acetate 150.53
    tetrachloromethane 119.4
    n-pentyl acetate 135.32
    transcutol 1193.05
    n-heptanol 150.51
    ethylbenzene 81.69
    MIBK 165.05
    2-propoxyethanol 480.78
    tert-butanol 670.5
    MTBE 332.64
    2-butoxyethanol 279.74
    propionic acid 294.41
    o-xylene 98.29
    formic acid 166.84
    diethyl ether 374.99
    m-xylene 116.26
    p-xylene 117.64
    chlorobenzene 173.55
    dimethyl carbonate 76.02
    n-octane 11.58
    formamide 190.86
    cyclopentanone 277.73
    2-pentanone 238.02
    anisole 183.44
    cyclopentyl methyl ether 270.06
    gamma-butyrolactone 303.78
    1-methoxy-2-propanol 583.25
    pyridine 340.97
    3-pentanone 156.25
    furfural 305.68
    n-dodecane 12.17
    diethylene glycol 371.76
    diisopropyl ether 94.27
    tert-amyl alcohol 443.3
    acetylacetone 224.06
    n-hexadecane 13.58
    acetophenone 172.07
    methyl propionate 196.54
    isopentyl acetate 199.02
    trichloroethylene 626.12
    n-nonanol 137.53
    cyclohexanol 384.37
    benzyl alcohol 206.97
    2-ethylhexanol 161.76
    isooctanol 115.74
    dipropyl ether 159.58
    1,2-dichlorobenzene 155.23
    ethyl lactate 144.95
    propylene carbonate 217.36
    n-methylformamide 133.48
    2-pentanol 408.94
    n-pentane 35.36
    1-propoxy-2-propanol 334.45
    1-methoxy-2-propyl acetate 228.7
    2-(2-methoxypropoxy) propanol 267.41
    mesitylene 77.92
    ε-caprolactone 299.77
    p-cymene 64.89
    epichlorohydrin 423.56
    1,1,1-trichloroethane 346.84
    2-aminoethanol 334.12
    morpholine-4-carbaldehyde 320.55
    sulfolane 290.64
    2,2,4-trimethylpentane 24.71
    2-methyltetrahydrofuran 441.25
    n-hexyl acetate 204.38
    isooctane 18.94
    2-(2-butoxyethoxy)ethanol 381.87
    sec-butyl acetate 151.73
    tert-butyl acetate 207.96
    decalin 30.01
    glycerin 334.13
    diglyme 592.6
    acrylic acid 205.09
    isopropyl myristate 90.51
    n-butyric acid 478.8
    acetyl acetate 212.29
    di(2-ethylhexyl) phthalate 95.7
    ethyl propionate 160.24
    nitromethane 383.81
    1,2-diethoxyethane 305.9
    benzonitrile 192.22
    trioctyl phosphate 68.17
    1-bromopropane 248.01
    gamma-valerolactone 379.9
    n-decanol 100.01
    triethyl phosphate 91.37
    4-methyl-2-pentanol 172.31
    propionitrile 251.91
    vinylene carbonate 204.86
    1,1,2-trichlorotrifluoroethane 421.96
    DMS 145.65
    cumene 67.94
    2-octanol 96.53
    2-hexanone 190.14
    octyl acetate 111.36
    limonene 92.61
    1,2-dimethoxyethane 515.96
    ethyl orthosilicate 94.84
    tributyl phosphate 85.04
    diacetone alcohol 259.03
    N,N-dimethylaniline 121.42
    acrylonitrile 222.25
    aniline 234.89
    1,3-propanediol 515.83
    bromobenzene 170.81
    dibromomethane 515.16
    1,1,2,2-tetrachloroethane 579.87
    2-methyl-cyclohexyl acetate 153.62
    tetrabutyl urea 93.71
    diisobutyl methanol 90.37
    2-phenylethanol 192.35
    styrene 100.26
    dioctyl adipate 133.9
    dimethyl sulfate 99.37
    ethyl butyrate 160.78
    methyl lactate 155.4
    butyl lactate 143.26
    diethyl carbonate 122.76
    propanediol butyl ether 301.35
    triethyl orthoformate 141.1
    p-tert-butyltoluene 63.73
    methyl 4-tert-butylbenzoate 163.55
    morpholine 828.8
    tert-butylamine 381.63
    n-dodecanol 77.6
    dimethoxymethane 257.6
    ethylene carbonate 195.07
    cyrene 197.5
    2-ethoxyethyl acetate 199.31
    2-ethylhexyl acetate 152.37
    1,2,4-trichlorobenzene 191.84
    4-methylpyridine 276.46
    dibutyl ether 140.67
    2,6-dimethyl-4-heptanol 90.37
    DEF 197.9
    dimethyl isosorbide 300.2
    tetrachloroethylene 346.27
    eugenol 173.46
    triacetin 222.44
    span 80 237.74
    1,4-butanediol 229.08
    1,1-dichloroethane 412.07
    2-methyl-1-pentanol 256.98
    methyl formate 97.66
    2-methyl-1-butanol 349.25
    n-decane 20.41
    butyronitrile 311.87
    3,7-dimethyl-1-octanol 144.31
    1-chlorooctane 81.23
    1-chlorotetradecane 34.7
    n-nonane 18.45
    undecane 14.96
    tert-butylcyclohexane 27.43
    cyclooctane 23.63
    cyclopentanol 285.66
    tetrahydropyran 636.41
    tert-amyl methyl ether 212.11
    2,5,8-trioxanonane 404.18
    1-hexene 105.2
    2-isopropoxyethanol 327.24
    2,2,2-trifluoroethanol 143.31
    methyl butyrate 205.23

    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