Apple, Malus sylvestris, ext.

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  • Identifiers

    CAS number
    85251-63-4

    Molecular formula
    C59H102O4

    SMILES
    CC(C)C1(CC2(C1)CCC3CC2C3(C)C)O.CC(C)C1(CC2(C1)CCC3CC2C3(C)C)O.CC(C)C1(CC2(C1)CC3CCC2CC3)O.CC(C)C1(CC2(C1)C3CCCC2CCC3)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 79.74%
    Camphoreous 51.82%
    Earthy 49.42%
    Sweet 45.77%
    Spicy 45.69%
    Pine 45.37%
    Dry 44.89%
    Amber 44.63%
    Balsamic 42.28%
    Herbal 41.32%

     

    Flavor
    Woody 60.58%
    Sweet 50.4%
    Green 48.24%
    Pine 47.03%
    Earthy 45.75%
    Camphor 40.89%
    Herbal 39.49%
    Balsam 36.4%
    Earth 34.45%
    Minty 32.62%

     

    Odor impact est.
    Medium

  • Properties

    pKa est.
    8.47 (weak base)

    Molecular weight
    875.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    302°C

    Flash point

    • 104.14 ˚C est.

  • Synonyms

    • Apple, Malus sylvestris, ext.
    • RefChem:558425
    • EINECS 286-475-7
    • 286-475-7
    • 85251-63-4
    • PhytoCellTec
    • (1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol
    • Malussylvestrisextract
    • Apple, Malus sylvestris, ext
    • 25281-63-4
    • 85251-63-4

  • Applications

    Apple, Malus sylvestris, ext. (CAS 85251-63-4) is a natural extract used primarily as a fragrance and flavor ingredient to impart or enhance apple notes in fragrance systems and flavor formulations. In cosmetics and personal care, it may be used as a fragrance component; in household products and cleaners to provide an apple-like scent; it may be considered for use in food processing as a natural flavor component. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 351.45
    methanol 303.45
    isopropanol 364.93
    water 3.22
    ethyl acetate 495.92
    n-propanol 357.72
    acetone 535.33
    n-butanol 354.5
    acetonitrile 380.43
    DMF 581.78
    toluene 355.45
    isobutanol 260.23
    1,4-dioxane 900.56
    methyl acetate 415.77
    THF 1425.14
    2-butanone 394.5
    n-pentanol 148.72
    sec-butanol 216.1
    n-hexane 40.65
    ethylene glycol 68.47
    NMP 263.22
    cyclohexane 103.99
    DMSO 247.78
    n-butyl acetate 372.71
    n-octanol 144.57
    chloroform 920.97
    n-propyl acetate 235.75
    acetic acid 211.09
    dichloromethane 556.09
    cyclohexanone 474.96
    propylene glycol 114.8
    isopropyl acetate 412.41
    DMAc 361.08
    2-ethoxyethanol 231.55
    isopentanol 294.62
    n-heptane 43.06
    ethyl formate 255.21
    1,2-dichloroethane 376.48
    n-hexanol 327.59
    2-methoxyethanol 472.24
    isobutyl acetate 201.5
    tetrachloromethane 176.64
    n-pentyl acetate 221.38
    transcutol 930.0
    n-heptanol 164.17
    ethylbenzene 164.16
    MIBK 305.01
    2-propoxyethanol 541.17
    tert-butanol 379.44
    MTBE 438.26
    2-butoxyethanol 299.98
    propionic acid 215.68
    o-xylene 198.43
    formic acid 91.35
    diethyl ether 501.78
    m-xylene 273.63
    p-xylene 224.43
    chlorobenzene 329.18
    dimethyl carbonate 226.64
    n-octane 19.28
    formamide 169.63
    cyclopentanone 603.55
    2-pentanone 398.71
    anisole 284.47
    cyclopentyl methyl ether 473.95
    gamma-butyrolactone 623.16
    1-methoxy-2-propanol 471.73
    pyridine 487.24
    3-pentanone 280.5
    furfural 481.35
    n-dodecane 14.07
    diethylene glycol 338.05
    diisopropyl ether 206.77
    tert-amyl alcohol 219.74
    acetylacetone 467.35
    n-hexadecane 16.64
    acetophenone 221.65
    methyl propionate 355.0
    isopentyl acetate 355.61
    trichloroethylene 662.42
    n-nonanol 133.41
    cyclohexanol 246.48
    benzyl alcohol 180.1
    2-ethylhexanol 169.15
    isooctanol 130.9
    dipropyl ether 270.36
    1,2-dichlorobenzene 270.61
    ethyl lactate 131.58
    propylene carbonate 391.75
    n-methylformamide 300.98
    2-pentanol 228.34
    n-pentane 62.18
    1-propoxy-2-propanol 407.13
    1-methoxy-2-propyl acetate 486.88
    2-(2-methoxypropoxy) propanol 250.61
    mesitylene 187.04
    ε-caprolactone 426.42
    p-cymene 114.12
    epichlorohydrin 608.85
    1,1,1-trichloroethane 466.75
    2-aminoethanol 168.9
    morpholine-4-carbaldehyde 466.39
    sulfolane 383.55
    2,2,4-trimethylpentane 30.87
    2-methyltetrahydrofuran 613.97
    n-hexyl acetate 286.05
    isooctane 37.39
    2-(2-butoxyethoxy)ethanol 356.64
    sec-butyl acetate 206.68
    tert-butyl acetate 415.5
    decalin 41.53
    glycerin 149.55
    diglyme 658.24
    acrylic acid 181.63
    isopropyl myristate 131.55
    n-butyric acid 359.3
    acetyl acetate 350.73
    di(2-ethylhexyl) phthalate 109.75
    ethyl propionate 241.14
    nitromethane 427.64
    1,2-diethoxyethane 393.74
    benzonitrile 260.84
    trioctyl phosphate 92.54
    1-bromopropane 275.84
    gamma-valerolactone 788.03
    n-decanol 98.5
    triethyl phosphate 120.3
    4-methyl-2-pentanol 186.84
    propionitrile 350.54
    vinylene carbonate 406.21
    1,1,2-trichlorotrifluoroethane 346.43
    DMS 266.28
    cumene 115.98
    2-octanol 106.18
    2-hexanone 203.73
    octyl acetate 148.17
    limonene 133.31
    1,2-dimethoxyethane 493.84
    ethyl orthosilicate 125.89
    tributyl phosphate 106.87
    diacetone alcohol 329.36
    N,N-dimethylaniline 185.62
    acrylonitrile 344.72
    aniline 325.21
    1,3-propanediol 274.62
    bromobenzene 335.64
    dibromomethane 381.19
    1,1,2,2-tetrachloroethane 563.61
    2-methyl-cyclohexyl acetate 194.93
    tetrabutyl urea 113.94
    diisobutyl methanol 135.66
    2-phenylethanol 265.04
    styrene 175.53
    dioctyl adipate 148.84
    dimethyl sulfate 221.56
    ethyl butyrate 253.44
    methyl lactate 199.76
    butyl lactate 187.83
    diethyl carbonate 181.2
    propanediol butyl ether 237.78
    triethyl orthoformate 207.43
    p-tert-butyltoluene 126.9
    methyl 4-tert-butylbenzoate 240.53
    morpholine 787.8
    tert-butylamine 275.58
    n-dodecanol 73.82
    dimethoxymethane 607.11
    ethylene carbonate 381.45
    cyrene 186.97
    2-ethoxyethyl acetate 323.41
    2-ethylhexyl acetate 267.18
    1,2,4-trichlorobenzene 292.56
    4-methylpyridine 494.1
    dibutyl ether 192.57
    2,6-dimethyl-4-heptanol 135.66
    DEF 293.68
    dimethyl isosorbide 418.72
    tetrachloroethylene 368.06
    eugenol 208.28
    triacetin 269.29
    span 80 216.21
    1,4-butanediol 76.83
    1,1-dichloroethane 468.78
    2-methyl-1-pentanol 126.26
    methyl formate 252.27
    2-methyl-1-butanol 218.51
    n-decane 26.27
    butyronitrile 365.62
    3,7-dimethyl-1-octanol 152.86
    1-chlorooctane 95.14
    1-chlorotetradecane 38.48
    n-nonane 23.96
    undecane 18.58
    tert-butylcyclohexane 40.15
    cyclooctane 42.74
    cyclopentanol 263.15
    tetrahydropyran 807.95
    tert-amyl methyl ether 249.46
    2,5,8-trioxanonane 379.01
    1-hexene 117.14
    2-isopropoxyethanol 185.17
    2,2,2-trifluoroethanol 141.03
    methyl butyrate 261.16

    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