Propanedioic acid, 1-[1-(3,3-dimethylcyclohexyl)ethyl] 3-ethyl ester

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  • Identifiers

    CAS number
    478695-70-4

    Molecular formula
    C15H26O4

    SMILES
    CCOC(=O)CC(=O)OC(C)C1CCCC(C1)(C)C

  • Odor profile

    Fruity 87.94%
    Apple 50.39%
    Winey 39.2%
    Sweet 35.01%
    Berry 30.58%
    Musk 29.73%
    Pineapple 29.4%
    Herbal 29.19%
    Floral 28.07%
    Fresh 26.81%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    270.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    305°C

    Flash point est.
    134.95 ˚C

  • Synonyms

    • Propanedioic acid, 1-(3,3-dimethylcyclohexyl)ethyl ethyl ester
    • DTXSID10889186
    • 478695-70-4
    • Propanedioic acid, 1-(1-(3,3-dimethylcyclohexyl)ethyl) 3-ethyl ester
    • Propanedioic acid, 1-[1-(3,3-dimethylcyclohexyl)ethyl] 3-ethyl ester
    • SCHEMBL233611
    • QISVACSCBGQBEZ-UHFFFAOYSA-N
    • DTXCID701028454
    • Applelide

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 513.14
    methanol 464.72
    isopropanol 407.1
    water 0.45
    ethyl acetate 633.58
    n-propanol 436.15
    acetone 938.49
    n-butanol 409.66
    acetonitrile 394.51
    DMF 1423.05
    toluene 310.63
    isobutanol 328.81
    1,4-dioxane 658.83
    methyl acetate 506.04
    THF 1882.72
    2-butanone 652.68
    n-pentanol 228.91
    sec-butanol 338.04
    n-hexane 22.27
    ethylene glycol 100.38
    NMP 1492.17
    cyclohexane 39.14
    DMSO 1433.17
    n-butyl acetate 360.6
    n-octanol 104.43
    chloroform 2178.05
    n-propyl acetate 301.11
    acetic acid 624.16
    dichloromethane 1677.14
    cyclohexanone 989.2
    propylene glycol 206.88
    isopropyl acetate 484.77
    DMAc 1491.41
    2-ethoxyethanol 407.12
    isopentanol 393.04
    n-heptane 7.39
    ethyl formate 339.23
    1,2-dichloroethane 1244.4
    n-hexanol 247.03
    2-methoxyethanol 799.2
    isobutyl acetate 234.05
    tetrachloromethane 195.8
    n-pentyl acetate 196.46
    transcutol 1690.14
    n-heptanol 93.52
    ethylbenzene 145.3
    MIBK 449.54
    2-propoxyethanol 596.96
    tert-butanol 491.92
    MTBE 467.5
    2-butoxyethanol 257.7
    propionic acid 409.76
    o-xylene 193.63
    formic acid 246.35
    diethyl ether 392.47
    m-xylene 240.33
    p-xylene 178.42
    chlorobenzene 525.85
    dimethyl carbonate 327.11
    n-octane 3.77
    formamide 347.06
    cyclopentanone 1362.45
    2-pentanone 653.92
    anisole 366.04
    cyclopentyl methyl ether 761.24
    gamma-butyrolactone 1414.52
    1-methoxy-2-propanol 751.52
    pyridine 633.14
    3-pentanone 443.51
    furfural 981.91
    n-dodecane 3.76
    diethylene glycol 401.49
    diisopropyl ether 124.22
    tert-amyl alcohol 393.5
    acetylacetone 864.61
    n-hexadecane 4.64
    acetophenone 379.15
    methyl propionate 561.87
    isopentyl acetate 378.02
    trichloroethylene 2354.82
    n-nonanol 95.2
    cyclohexanol 372.56
    benzyl alcohol 291.64
    2-ethylhexanol 138.23
    isooctanol 85.13
    dipropyl ether 124.12
    1,2-dichlorobenzene 507.3
    ethyl lactate 190.17
    propylene carbonate 740.22
    n-methylformamide 587.64
    2-pentanol 269.16
    n-pentane 19.36
    1-propoxy-2-propanol 376.78
    1-methoxy-2-propyl acetate 555.59
    2-(2-methoxypropoxy) propanol 384.66
    mesitylene 126.03
    ε-caprolactone 833.25
    p-cymene 77.07
    epichlorohydrin 1906.98
    1,1,1-trichloroethane 1093.09
    2-aminoethanol 257.52
    morpholine-4-carbaldehyde 1089.51
    sulfolane 1759.16
    2,2,4-trimethylpentane 17.3
    2-methyltetrahydrofuran 1092.44
    n-hexyl acetate 334.12
    isooctane 13.54
    2-(2-butoxyethoxy)ethanol 496.01
    sec-butyl acetate 266.36
    tert-butyl acetate 559.47
    decalin 26.19
    glycerin 280.34
    diglyme 841.25
    acrylic acid 368.76
    isopropyl myristate 108.08
    n-butyric acid 617.82
    acetyl acetate 458.46
    di(2-ethylhexyl) phthalate 140.1
    ethyl propionate 313.66
    nitromethane 1030.02
    1,2-diethoxyethane 327.01
    benzonitrile 345.48
    trioctyl phosphate 92.73
    1-bromopropane 553.08
    gamma-valerolactone 1471.7
    n-decanol 64.44
    triethyl phosphate 138.67
    4-methyl-2-pentanol 181.29
    propionitrile 334.32
    vinylene carbonate 578.64
    1,1,2-trichlorotrifluoroethane 1095.21
    DMS 365.29
    cumene 100.12
    2-octanol 60.26
    2-hexanone 326.64
    octyl acetate 149.57
    limonene 110.6
    1,2-dimethoxyethane 637.07
    ethyl orthosilicate 129.94
    tributyl phosphate 136.73
    diacetone alcohol 640.25
    N,N-dimethylaniline 241.61
    acrylonitrile 443.69
    aniline 440.15
    1,3-propanediol 372.52
    bromobenzene 556.25
    dibromomethane 1063.82
    1,1,2,2-tetrachloroethane 2011.69
    2-methyl-cyclohexyl acetate 239.49
    tetrabutyl urea 170.65
    diisobutyl methanol 76.32
    2-phenylethanol 285.04
    styrene 180.29
    dioctyl adipate 194.67
    dimethyl sulfate 638.41
    ethyl butyrate 229.39
    methyl lactate 360.39
    butyl lactate 220.91
    diethyl carbonate 169.34
    propanediol butyl ether 312.35
    triethyl orthoformate 175.9
    p-tert-butyltoluene 75.49
    methyl 4-tert-butylbenzoate 317.29
    morpholine 1006.33
    tert-butylamine 262.46
    n-dodecanol 44.38
    dimethoxymethane 798.16
    ethylene carbonate 513.46
    cyrene 375.51
    2-ethoxyethyl acetate 345.89
    2-ethylhexyl acetate 277.03
    1,2,4-trichlorobenzene 650.61
    4-methylpyridine 770.33
    dibutyl ether 116.76
    2,6-dimethyl-4-heptanol 76.32
    DEF 660.8
    dimethyl isosorbide 652.7
    tetrachloroethylene 978.63
    eugenol 279.1
    triacetin 384.46
    span 80 274.83
    1,4-butanediol 127.38
    1,1-dichloroethane 1182.97
    2-methyl-1-pentanol 240.53
    methyl formate 433.69
    2-methyl-1-butanol 355.49
    n-decane 7.11
    butyronitrile 371.8
    3,7-dimethyl-1-octanol 133.13
    1-chlorooctane 67.57
    1-chlorotetradecane 21.45
    n-nonane 6.26
    undecane 5.06
    tert-butylcyclohexane 22.13
    cyclooctane 12.32
    cyclopentanol 469.96
    tetrahydropyran 767.09
    tert-amyl methyl ether 362.94
    2,5,8-trioxanonane 546.69
    1-hexene 106.89
    2-isopropoxyethanol 306.9
    2,2,2-trifluoroethanol 280.43
    methyl butyrate 388.41

    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