trans-4-Methyl-2-pentyl-1,3-dioxolane

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  • Identifiers

    CAS number
    26563-75-7

    Molecular formula
    C9H18O2

    SMILES
    CCCCC[C@H]1OC[C@@H](O1)C

  • Odor profile

    Green 92.62%
    Fruity 75.52%
    Fatty 62.42%
    Sweet 60.18%
    Fresh 55.46%
    Vegetable 46.27%
    Ethereal 37.68%
    Waxy 36.87%
    Apple 35.34%
    Herbal 34.56%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    158.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    192°C

    Flash point est.
    62.96 ˚C

  • Synonyms

    • trans-4-Methyl-2-pentyl-1,3-dioxolane
    • 26563-75-7
    • EINECS 247-808-1
    • GWMSIWCZZKMUQM-IUCAKERBSA-N
    • NS00084229

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7646.42
    methanol 7035.78
    isopropanol 5828.79
    water 3.9
    ethyl acetate 5090.73
    n-propanol 5115.75
    acetone 4220.67
    n-butanol 5060.91
    acetonitrile 4112.98
    DMF 2032.12
    toluene 1495.8
    isobutanol 3921.99
    1,4-dioxane 5792.95
    methyl acetate 2936.84
    THF 6243.4
    2-butanone 2915.71
    n-pentanol 3137.95
    sec-butanol 4212.64
    n-hexane 1141.5
    ethylene glycol 901.16
    NMP 1760.52
    cyclohexane 1697.85
    DMSO 2960.24
    n-butyl acetate 4160.04
    n-octanol 1424.91
    chloroform 10425.48
    n-propyl acetate 2550.79
    acetic acid 5276.24
    dichloromethane 8107.07
    cyclohexanone 4087.31
    propylene glycol 1360.12
    isopropyl acetate 3411.65
    DMAc 1597.24
    2-ethoxyethanol 2918.77
    isopentanol 4408.7
    n-heptane 657.58
    ethyl formate 2469.65
    1,2-dichloroethane 3915.7
    n-hexanol 3818.55
    2-methoxyethanol 4346.2
    isobutyl acetate 1600.66
    tetrachloromethane 2035.38
    n-pentyl acetate 2005.82
    transcutol 6848.08
    n-heptanol 1290.3
    ethylbenzene 707.65
    MIBK 1871.99
    2-propoxyethanol 3951.13
    tert-butanol 5705.18
    MTBE 4759.84
    2-butoxyethanol 1835.66
    propionic acid 3001.81
    o-xylene 794.37
    formic acid 1323.17
    diethyl ether 5398.23
    m-xylene 914.7
    p-xylene 988.2
    chlorobenzene 2130.73
    dimethyl carbonate 668.06
    n-octane 224.6
    formamide 1248.57
    cyclopentanone 3160.61
    2-pentanone 2942.86
    anisole 1352.57
    cyclopentyl methyl ether 3260.94
    gamma-butyrolactone 3466.27
    1-methoxy-2-propanol 3210.86
    pyridine 3701.69
    3-pentanone 1757.18
    furfural 2700.46
    n-dodecane 172.33
    diethylene glycol 2295.34
    diisopropyl ether 1548.46
    tert-amyl alcohol 3863.59
    acetylacetone 2686.21
    n-hexadecane 194.28
    acetophenone 1110.03
    methyl propionate 2164.23
    isopentyl acetate 2979.11
    trichloroethylene 6575.57
    n-nonanol 1155.64
    cyclohexanol 3880.7
    benzyl alcohol 1280.47
    2-ethylhexanol 1949.78
    isooctanol 1023.11
    dipropyl ether 2393.48
    1,2-dichlorobenzene 1676.59
    ethyl lactate 791.9
    propylene carbonate 2492.08
    n-methylformamide 1554.45
    2-pentanol 3514.64
    n-pentane 1111.15
    1-propoxy-2-propanol 2854.93
    1-methoxy-2-propyl acetate 2255.91
    2-(2-methoxypropoxy) propanol 1236.56
    mesitylene 631.46
    ε-caprolactone 3880.62
    p-cymene 568.62
    epichlorohydrin 4222.02
    1,1,1-trichloroethane 4730.91
    2-aminoethanol 1931.78
    morpholine-4-carbaldehyde 2471.29
    sulfolane 2735.52
    2,2,4-trimethylpentane 379.51
    2-methyltetrahydrofuran 5311.18
    n-hexyl acetate 2541.44
    isooctane 307.82
    2-(2-butoxyethoxy)ethanol 1900.62
    sec-butyl acetate 1718.34
    tert-butyl acetate 2422.6
    decalin 455.32
    glycerin 1328.24
    diglyme 3237.65
    acrylic acid 1987.04
    isopropyl myristate 774.44
    n-butyric acid 5874.9
    acetyl acetate 2961.26
    di(2-ethylhexyl) phthalate 591.98
    ethyl propionate 1767.77
    nitromethane 4137.19
    1,2-diethoxyethane 3429.71
    benzonitrile 2001.87
    trioctyl phosphate 459.02
    1-bromopropane 3688.58
    gamma-valerolactone 3857.71
    n-decanol 765.43
    triethyl phosphate 602.09
    4-methyl-2-pentanol 1691.83
    propionitrile 3287.71
    vinylene carbonate 2179.53
    1,1,2-trichlorotrifluoroethane 3084.57
    DMS 1169.42
    cumene 493.75
    2-octanol 924.23
    2-hexanone 2057.98
    octyl acetate 936.43
    limonene 1023.36
    1,2-dimethoxyethane 4293.52
    ethyl orthosilicate 677.9
    tributyl phosphate 623.61
    diacetone alcohol 1835.29
    N,N-dimethylaniline 767.85
    acrylonitrile 2731.56
    aniline 1879.1
    1,3-propanediol 2960.99
    bromobenzene 2361.59
    dibromomethane 6090.43
    1,1,2,2-tetrachloroethane 5311.39
    2-methyl-cyclohexyl acetate 1158.76
    tetrabutyl urea 675.4
    diisobutyl methanol 892.55
    2-phenylethanol 1504.14
    styrene 967.38
    dioctyl adipate 938.41
    dimethyl sulfate 765.93
    ethyl butyrate 2068.41
    methyl lactate 885.21
    butyl lactate 1120.86
    diethyl carbonate 1108.12
    propanediol butyl ether 1522.67
    triethyl orthoformate 1281.34
    p-tert-butyltoluene 560.29
    methyl 4-tert-butylbenzoate 915.12
    morpholine 6083.75
    tert-butylamine 4068.53
    n-dodecanol 563.15
    dimethoxymethane 2081.45
    ethylene carbonate 2325.99
    cyrene 805.91
    2-ethoxyethyl acetate 2014.85
    2-ethylhexyl acetate 2152.38
    1,2,4-trichlorobenzene 1844.84
    4-methylpyridine 3476.0
    dibutyl ether 2084.21
    2,6-dimethyl-4-heptanol 892.55
    DEF 2660.13
    dimethyl isosorbide 1633.78
    tetrachloroethylene 3785.19
    eugenol 878.28
    triacetin 1508.59
    span 80 1299.91
    1,4-butanediol 1204.77
    1,1-dichloroethane 5591.07
    2-methyl-1-pentanol 2481.46
    methyl formate 1188.37
    2-methyl-1-butanol 3510.43
    n-decane 306.82
    butyronitrile 4515.31
    3,7-dimethyl-1-octanol 1311.72
    1-chlorooctane 938.31
    1-chlorotetradecane 358.2
    n-nonane 333.81
    undecane 216.53
    tert-butylcyclohexane 431.42
    cyclooctane 446.98
    cyclopentanol 3247.47
    tetrahydropyran 6768.73
    tert-amyl methyl ether 2447.37
    2,5,8-trioxanonane 1889.41
    1-hexene 2722.25
    2-isopropoxyethanol 2197.82
    2,2,2-trifluoroethanol 1199.08
    methyl butyrate 2592.1

    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